Glycoside
...
GD154769

Name:
(6-{[3a,10-dihydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-7-yl]oxy}-4,5-bis(acetyloxy)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl)methyl acetate

Formula:
C40H58O17

Smiles:
CC(=O)OCC1OC(OC2CCC3(C)C(CCC4C3C(O)CC3(C)C(C5=CC(=O)OC5)CCC43O)C2)C(OC(C)=O)C(OC(C)=O)C1OC1OCC(O)C(O)C1O

Aglycone:
CC12CCC(O)CC1CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12O.COC(C)=O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC2OCC(O)C(O)C2O)C1OC(C)=O

Other Identifiers

Properties
HBA: 17 RingCount: 7
HBD: 5 FractionCSP3: 0.85
AlogP: 0.58 Num_rotatable_bonds: 9
MolWt: 810.89 Num_heavy_atoms: 57
TPSA: 243.27 NumAromaticRings: 0

Unique Aglycone
AD00017
Formula: C3H6O2

Smiles:
COC(C)=O
HBA: 2 RingCount: 0
HBD: 0 FractionCSP3: 0.67
AlogP: 0.18 Num_rotatable_bonds: 0
MolWt: 74.08 Num_heavy_atoms: 5
TPSA: 26.3 NumAromaticRings: 0
AD12646
Formula: C23H34O5

Smiles:
CC12CCC(O)CC1CCC1C2C(O)CC2(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
SD10270

CC(=O)OC1C(O)OC(O)C(OC2OCC(O)C(O)C2O)C1OC(C)=O