Glycoside
...
GD116175

Name:
1-(acetyloxy)-1-[4,5-bis(acetyloxy)-4-[4-(acetyloxy)-3b,6,6,9a,11a-pentamethyl-7-oxo-1H,2H,3bH,4H,5H,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl]oxolan-2-yl]-2-methylpropan-2-yl acetate

Formula:
C40H58O12

Smiles:
CC(=O)OC(C1CC(OC(C)=O)(C2CC=C3C2(C)CCC2C4(C)CCC(=O)C(C)(C)C4CC(OC(C)=O)C32C)C(OC(C)=O)O1)C(C)(C)OC(C)=O

Aglycone:
CC(=O)OC1CC2C(C)(C)C(=O)CCC2(C)C2CCC3(C)CCC=C3C12C.CC(=O)OCC(C)(C)OC(C)=O

Sugarmoiety:
CC(=O)OC1OC(O)CC1(O)OC(C)=O

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 0 FractionCSP3: 0.8
AlogP: 5.96 Num_rotatable_bonds: 8
MolWt: 730.89 Num_heavy_atoms: 52
TPSA: 157.8 NumAromaticRings: 0

Unique Aglycone
AD46090
Formula: C24H36O3

Smiles:
CC(=O)OC1CC2C(C)(C)C(=O)CCC2(C)C2CCC3(C)CCC=C3C12C
HBA: 3 RingCount: 4
HBD: 0 FractionCSP3: 0.83
AlogP: 5.48 Num_rotatable_bonds: 1
MolWt: 372.55 Num_heavy_atoms: 27
TPSA: 43.37 NumAromaticRings: 0
AD46091
Formula: C8H14O4

Smiles:
CC(=O)OCC(C)(C)OC(C)=O
HBA: 4 RingCount: 0
HBD: 0 FractionCSP3: 0.75
AlogP: 0.89 Num_rotatable_bonds: 3
MolWt: 174.2 Num_heavy_atoms: 12
TPSA: 52.6 NumAromaticRings: 0

Sugarmoiety
SD04801

CC(=O)OC1OC(O)CC1(O)OC(C)=O