Glycoside
...
GD005541

Name:
CYPELLOCARPIN B

Formula:
C26H34O12

Smiles:
CC1(O)CC(=O)c2c(O)cc(O[C@@H]3O[C@H](COC(=O)C4=CC[C@H](C(C)(C)O)CC4)[C@H](O)[C@H](O)[C@H]3O)cc2O1

Aglycone:
CC1(O)CC(=O)c2c(O)cc(O)cc2O1.COC(=O)C1=CCC(C(C)(C)O)CC1

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

Other Identifiers

Properties
HBA: 12 RingCount: 4
HBD: 6 FractionCSP3: 0.62
AlogP: 0.29 Num_rotatable_bonds: 6
MolWt: 538.55 Num_heavy_atoms: 38
TPSA: 192.44 NumAromaticRings: 1

Unique Aglycone
AD04695
Formula: C10H10O5

Smiles:
CC1(O)CC(=O)c2c(O)cc(O)cc2O1
HBA: 5 RingCount: 2
HBD: 3 FractionCSP3: 0.3
AlogP: 0.77 Num_rotatable_bonds: 0
MolWt: 210.19 Num_heavy_atoms: 15
TPSA: 86.99 NumAromaticRings: 1
AD04696
Formula: C11H18O3

Smiles:
COC(=O)C1=CCC(C(C)(C)O)CC1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.73
AlogP: 1.66 Num_rotatable_bonds: 2
MolWt: 198.26 Num_heavy_atoms: 14
TPSA: 46.53 NumAromaticRings: 0

Sugarmoiety
SD00017

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