Glycoside
...
GD127307

Name:
7Beta -Hydroxydigoxin

Formula:
C43H68O13

Smiles:
CC1CC(OC2C(C)CC(OC3C(O)CC(OC4CCC5(C)C(C4)CC(O)C4C5CC(O)C5(C)C(C6=CC(=O)OC6)CCC45O)OC3C)CC2O)CC(O)C1O

Aglycone:
CC12CCC(O)CC1CC(O)C1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12O.CC1CC(OC2C(C)CC(O)CC2O)CC(O)C1O

Sugarmoiety:
CC1OC(O)CC(O)C1O

Other Identifiers

Properties
HBA: 13 RingCount: 8
HBD: 7 FractionCSP3: 0.93
AlogP: 2.52 Num_rotatable_bonds: 7
MolWt: 793.0 Num_heavy_atoms: 56
TPSA: 204.83 NumAromaticRings: 0

Unique Aglycone
AD51550
Formula: C23H34O6

Smiles:
CC12CCC(O)CC1CC(O)C1C2CC(O)C2(C)C(C3=CC(=O)OC3)CCC12O
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.87
AlogP: 1.55 Num_rotatable_bonds: 1
MolWt: 406.52 Num_heavy_atoms: 29
TPSA: 107.22 NumAromaticRings: 0
AD51551
Formula: C14H26O5

Smiles:
CC1CC(OC2C(C)CC(O)CC2O)CC(O)C1O
HBA: 5 RingCount: 2
HBD: 4 FractionCSP3: 1.0
AlogP: 0.04 Num_rotatable_bonds: 2
MolWt: 274.36 Num_heavy_atoms: 19
TPSA: 90.15 NumAromaticRings: 0

Sugarmoiety
SD00010

CC1OC(O)CC(O)C1O