Glycoside
...
GD023929

Name:
ACETYLDIGITOXIN

Formula:
C43H66O14

Smiles:
CC(=O)O[C@@H]1C[C@H](O[C@H]2[C@H](C)O[C@@H](O[C@H]3[C@H](C)O[C@@H](O[C@@H]4CC[C@@]5(C)[C@@H](CC[C@H]6[C@H]5CC[C@]5(C)[C@H](C7=CC(=O)OC7)CC[C@@]65O)C4)C[C@H]3O)C[C@H]2O)O[C@H](C)[C@H]1O

Aglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O

Sugarmoiety:
CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1O

Other Identifiers

Properties
HBA: 14 RingCount: 8
HBD: 4 FractionCSP3: 0.91
AlogP: 3.82 Num_rotatable_bonds: 8
MolWt: 806.99 Num_heavy_atoms: 57
TPSA: 188.9 NumAromaticRings: 0

Unique Aglycone
AD01378
Formula: C23H34O4

Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O
HBA: 4 RingCount: 5
HBD: 2 FractionCSP3: 0.87
AlogP: 3.6 Num_rotatable_bonds: 1
MolWt: 374.52 Num_heavy_atoms: 27
TPSA: 66.76 NumAromaticRings: 0

Sugarmoiety
SD02382

CC(=O)OC1CC(OC2C(O)CC(OC3C(O)CC(O)OC3C)OC2C)OC(C)C1O