Glycoside
...
GD022902

Name:
BALANOPHOTANNIN D

Formula:
C28H24O16

Smiles:
O=C(C=Cc1ccc(O)c(O)c1)O[C@@H]1O[C@H](COC(=O)[C@@H]2CC(=O)c3oc(=O)c4cc(O)c(O)c(O)c4c32)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
COC(=O)C1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21.O=C(O)C=Cc1ccc(O)c(O)c1

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 8 FractionCSP3: 0.29
AlogP: -0.4 Num_rotatable_bonds: 6
MolWt: 616.48 Num_heavy_atoms: 44
TPSA: 270.95 NumAromaticRings: 3

Unique Aglycone
AD00127
Formula: C9H8O4

Smiles:
O=C(O)C=Cc1ccc(O)c(O)c1
HBA: 4 RingCount: 1
HBD: 3 FractionCSP3: 0.0
AlogP: 1.2 Num_rotatable_bonds: 2
MolWt: 180.16 Num_heavy_atoms: 13
TPSA: 77.76 NumAromaticRings: 1
AD09591
Formula: C14H10O8

Smiles:
COC(=O)C1CC(=O)c2oc(=O)c3cc(O)c(O)c(O)c3c21
HBA: 8 RingCount: 3
HBD: 3 FractionCSP3: 0.21
AlogP: 0.75 Num_rotatable_bonds: 1
MolWt: 306.23 Num_heavy_atoms: 22
TPSA: 134.27 NumAromaticRings: 2

Sugarmoiety
SD00017

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