Glycoside
...
GD000135

Name:
vatalbinoside B

Formula:
C62H52O18

Smiles:
OC[C@@H]1O[C@H](Oc2c(O)cc([C@@H]3c4c(O)cc5c6c4[C@@H]([C@H](c4ccc(O)cc4)c4c(O)cc(O)cc4[C@H]6[C@H](c4ccc(O)cc4)O5)[C@H]3c3ccc(O)cc3)c3c2O[C@H](c2ccc(O)cc2)[C@H]3c2cc(O)cc(O)c2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
Oc1ccc(C2Oc3c(O)c(O)cc(C4c5c(O)cc6c7c5C(C(c5ccc(O)cc5)c5c(O)cc(O)cc5C7C(c5ccc(O)cc5)O6)C4c4ccc(O)cc4)c3C2c2cc(O)cc(O)c2)cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 13
HBD: 14 FractionCSP3: 0.23
AlogP: 7.61 Num_rotatable_bonds: 9
MolWt: 1085.08 Num_heavy_atoms: 80
TPSA: 320.14 NumAromaticRings: 8

Unique Aglycone
AD00165
Formula: C56H42O13

Smiles:
Oc1ccc(C2Oc3c(O)c(O)cc(C4c5c(O)cc6c7c5C(C(c5ccc(O)cc5)c5c(O)cc(O)cc5C7C(c5ccc(O)cc5)O6)C4c4ccc(O)cc4)c3C2c2cc(O)cc(O)c2)cc1
HBA: 13 RingCount: 12
HBD: 11 FractionCSP3: 0.14
AlogP: 10.14 Num_rotatable_bonds: 6
MolWt: 922.94 Num_heavy_atoms: 69
TPSA: 240.99 NumAromaticRings: 8

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O