Glycoside
...
GD126984

Name:
5-carboxypyranocyanidin 3-o-(6''-o-malonyl-beta-glucopyranoside)

Formula:
C27H25O16

Smiles:
O=C(O)CC(=O)OCC1OC(OC2=C3C=C(C(=O)O)Oc4cc([OH2+])cc(c43)OC2c2ccc(O)c(O)c2)C(O)C(O)C1O

Aglycone:
COC(=O)CC(=O)O.O=C(O)C1=CC2=C(O)C(c3ccc(O)c(O)c3)Oc3cc([OH2+])cc(c32)O1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 9 FractionCSP3: 0.3
AlogP: -0.42 Num_rotatable_bonds: 8
MolWt: 605.48 Num_heavy_atoms: 43
TPSA: 261.87 NumAromaticRings: 2

Unique Aglycone
AD04733
Formula: C4H6O4

Smiles:
COC(=O)CC(=O)O
HBA: 4 RingCount: 0
HBD: 1 FractionCSP3: 0.5
AlogP: -0.37 Num_rotatable_bonds: 2
MolWt: 118.09 Num_heavy_atoms: 8
TPSA: 63.6 NumAromaticRings: 0
AD51402
Formula: C18H13O8

Smiles:
O=C(O)C1=CC2=C(O)C(c3ccc(O)c(O)c3)Oc3cc([OH2+])cc(c32)O1
HBA: 8 RingCount: 4
HBD: 6 FractionCSP3: 0.06
AlogP: 2.3 Num_rotatable_bonds: 2
MolWt: 357.29 Num_heavy_atoms: 26
TPSA: 139.35 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O