Glycoside
...
GD019100

Name:
LAPATHOSIDE B

Formula:
C51H52O22

Smiles:
COc1cc(C=CC(=O)OC[C@@H]2O[C@H](O[C@@]3(COC(=O)C=Cc4ccc(O)c(OC)c4)O[C@H](COC(=O)C=Cc4ccc(O)c(OC)c4)[C@H](O)[C@H]3OC(=O)C=Cc3ccc(O)cc3)[C@H](O)[C@H](O)[C@H]2O)ccc1O

Aglycone:
COC(=O)C=Cc1ccc(O)c(OC)c1.COC(=O)C=Cc1ccc(O)c(OC)c1.COC(=O)C=Cc1ccc(O)c(OC)c1.O=C(O)C=Cc1ccc(O)cc1

Sugarmoiety:
OC1OC(OC2(O)OC(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 6
HBD: 8 FractionCSP3: 0.29
AlogP: 2.51 Num_rotatable_bonds: 20
MolWt: 1016.96 Num_heavy_atoms: 73
TPSA: 322.42 NumAromaticRings: 4

Unique Aglycone
AD00021
Formula: C9H8O3

Smiles:
O=C(O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 2 FractionCSP3: 0.0
AlogP: 1.49 Num_rotatable_bonds: 2
MolWt: 164.16 Num_heavy_atoms: 12
TPSA: 57.53 NumAromaticRings: 1
AD00132
Formula: C11H12O4

Smiles:
COC(=O)C=Cc1ccc(O)c(OC)c1
HBA: 4 RingCount: 1
HBD: 1 FractionCSP3: 0.18
AlogP: 1.59 Num_rotatable_bonds: 3
MolWt: 208.21 Num_heavy_atoms: 15
TPSA: 55.76 NumAromaticRings: 1

Sugarmoiety
SD00058

OC1OC(OC2(O)OC(O)C(O)C2O)C(O)C(O)C1O