Glycoside
...
GD010471

Name:
VISARTISIDE C

Formula:
C35H36O16

Smiles:
O=C(C=Cc1ccccc1)OC[C@]1(O)CO[C@H](O[C@@H]2[C@H](Oc3cc(O)c4c(c3)O[C@H](c3ccc(O)c(O)c3)CC4=O)O[C@H](CO)[C@H](O)[C@H]2O)[C@H]1O

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

Sugarmoiety:
OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 8 FractionCSP3: 0.37
AlogP: 0.42 Num_rotatable_bonds: 10
MolWt: 712.66 Num_heavy_atoms: 51
TPSA: 251.36 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
SD01555

OCC1OC(O)C(OC2OCC(O)(O)C2O)C(O)C1O