Glycoside
...
GD120643

Name:
7Beta -Hydroxydigitoxin

Formula:
C41H64O14

Smiles:
CC1OC(OC2CC(OC3CCC4(C)C(C3)CC(O)C3C4CCC4(C)C(C5=CC(=O)OC5)CCC34O)OC(C)C2OC2CC(O)C(O)C(C)O2)CC(O)C1O

Aglycone:
CC12CCC(O)CC1CC(O)C1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

Sugarmoiety:
CC1OC(OC2CC(O)OC(C)C2OC2CC(O)C(O)C(C)O2)CC(O)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 8
HBD: 6 FractionCSP3: 0.93
AlogP: 2.22 Num_rotatable_bonds: 7
MolWt: 780.95 Num_heavy_atoms: 55
TPSA: 203.06 NumAromaticRings: 0

Unique Aglycone
AD48491
Formula: C23H34O5

Smiles:
CC12CCC(O)CC1CC(O)C1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O
HBA: 5 RingCount: 5
HBD: 3 FractionCSP3: 0.87
AlogP: 2.58 Num_rotatable_bonds: 1
MolWt: 390.52 Num_heavy_atoms: 28
TPSA: 86.99 NumAromaticRings: 0

Sugarmoiety
SD05658

CC1OC(OC2CC(O)OC(C)C2OC2CC(O)C(O)C(C)O2)CC(O)C1O