Glycoside
...
GD026820

Name:
VISARTISIDE B

Formula:
C30H28O12

Smiles:
O=C(C=Cc1ccccc1)OC[C@@H]1O[C@H](Oc2cc(O)c3c(c2)O[C@H](c2ccc(O)c(O)c2)CC3=O)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
COC(=O)C=Cc1ccccc1.O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21

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

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 6 FractionCSP3: 0.27
AlogP: 1.95 Num_rotatable_bonds: 7
MolWt: 580.54 Num_heavy_atoms: 42
TPSA: 192.44 NumAromaticRings: 3

Unique Aglycone
AD00087
Formula: C15H12O6

Smiles:
O=C1CC(c2ccc(O)c(O)c2)Oc2cc(O)cc(O)c21
HBA: 6 RingCount: 3
HBD: 4 FractionCSP3: 0.13
AlogP: 2.22 Num_rotatable_bonds: 1
MolWt: 288.26 Num_heavy_atoms: 21
TPSA: 107.22 NumAromaticRings: 2
AD00648
Formula: C10H10O2

Smiles:
COC(=O)C=Cc1ccccc1
HBA: 2 RingCount: 1
HBD: 0 FractionCSP3: 0.1
AlogP: 1.87 Num_rotatable_bonds: 2
MolWt: 162.19 Num_heavy_atoms: 12
TPSA: 26.3 NumAromaticRings: 1

Sugarmoiety
SD00017

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