Glycoside
...
GD120560

Name:
7-[(3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-3a,3b-dihydroxy-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-1H,2H,3H,3aH,3bH,4H,5H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-5-yl acetate

Formula:
C32H46O11

Smiles:
COC1C(O)C(C)OC(OC2C=C3C(OC(C)=O)CC4(O)C(CCC5(C)C(C6=CC(=O)OC6)CCC54O)C3(C)CC2)C1O

Aglycone:
CC(=O)OC1CC2(O)C(CCC3(C)C(C4=CC(=O)OC4)CCC32O)C2(C)CCC(O)C=C12

Sugarmoiety:
COC1C(O)C(C)OC(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 6
HBD: 4 FractionCSP3: 0.81
AlogP: 1.69 Num_rotatable_bonds: 5
MolWt: 606.71 Num_heavy_atoms: 43
TPSA: 161.21 NumAromaticRings: 0

Unique Aglycone
AD48451
Formula: C25H34O7

Smiles:
CC(=O)OC1CC2(O)C(CCC3(C)C(C4=CC(=O)OC4)CCC32O)C2(C)CCC(O)C=C12
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.76
AlogP: 2.18 Num_rotatable_bonds: 2
MolWt: 446.54 Num_heavy_atoms: 32
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD00011

COC1C(O)C(C)OC(O)C1O