Glycoside
...
GD127248

Name:
[3,4,5-tris(acetyloxy)-6-{[2-(acetyloxy)-1-(2-hydroxy-3-oxobutan-2-yl)-3a,6,6,9b,11a-pentamethyl-7,10-dioxo-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-8-yl]oxy}oxan-2-yl]methyl acetate

Formula:
C42H58O16

Smiles:
CC(=O)OCC1OC(OC2CC3C(=CCC4C3(C)C(=O)CC3(C)C(C(C)(O)C(C)=O)C(OC(C)=O)CC43C)C(C)(C)C2=O)C(OC(C)=O)C(OC(C)=O)C1OC(C)=O

Aglycone:
CC(=O)OC1CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC2(C)C1C(C)(O)C(C)=O.COC(C)=O

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

Other Identifiers

Properties
HBA: 16 RingCount: 5
HBD: 1 FractionCSP3: 0.76
AlogP: 3.3 Num_rotatable_bonds: 10
MolWt: 818.91 Num_heavy_atoms: 58
TPSA: 221.4 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
AD51522
Formula: C28H40O7

Smiles:
CC(=O)OC1CC2(C)C3CC=C4C(CC(O)C(=O)C4(C)C)C3(C)C(=O)CC2(C)C1C(C)(O)C(C)=O
HBA: 7 RingCount: 4
HBD: 2 FractionCSP3: 0.79
AlogP: 3.19 Num_rotatable_bonds: 3
MolWt: 488.62 Num_heavy_atoms: 35
TPSA: 117.97 NumAromaticRings: 0

Sugarmoiety
SD00012

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