Summary

IMPPAT Phytochemical identifier: IMPHY012841

Phytochemical name: Dalspinin-7-O-beta-D-galactopyranoside

Synonymous chemical names:
dalspinin-7-o-beta-d-galactopyranoside

External chemical identifiers:
CID:5386368

---

Chemical structure information

SMILES:
OCC1OC(Oc2cc3occ(c(=O)c3c(c2OC)O)c2ccc3c(c2)OCO3)C(C(C1O)O)O

InChI:
InChI=1S/C23H22O12/c1-30-22-14(34-23-21(29)20(28)18(26)15(6-24)35-23)5-13-16(19(22)27)17(25)10(7-31-13)9-2-3-11-12(4-9)33-8-32-11/h2-5,7,15,18,20-21,23-24,26-29H,6,8H2,1H3

InChIKey:
BTJRGZAHDXFZLW-UHFFFAOYSA-N

DeepSMILES:
OCCOCOcccoccc=O)c6cc%10OC)))O))))cccccc6)OCO5)))))))))))))))CCC6O))O))O

Functional groups:
CO, c1cOCO1, c=O, cO, cOC, cOC(C)OC, coc

---

Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccc3c(c2)OCO3)coc2cc(OC3CCCCO3)ccc12

Scaffold Graph/Node level:
OC1C(C2CCC3OCOC3C2)COC2CC(OC3CCCCO3)CCC21

Scaffold Graph level:
CC1C2CCC(CC3CCCCC3)CC2CCC1C1CCC2CCCC2C1

---

Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflavonoid o-glycosides

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 1.826

---

Chemical structure download