Glycoside
...
GD148389

Name:
[10-(acetyloxy)-1,6-dihydroxy-5a,8,8,11a,13a-pentamethyl-3-(propan-2-yl)-9-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,4H,5H,5aH,5bH,6H,7H,7aH,8H,9H,10H,11H,11aH,13H,13aH,13bH-cyclopenta[a]chrysen-3a-yl]methyl acetate

Formula:
C40H64O12

Smiles:
CC(=O)OCC12CCC3(C)C4C(=CCC3(C)C1C(O)CC2C(C)C)C1(C)CC(OC(C)=O)C(OC2OC(CO)C(O)C(O)C2O)C(C)(C)C1CC4O

Aglycone:
CC(=O)OCC12CCC3(C)C4C(=CCC3(C)C1C(O)CC2C(C)C)C1(C)CC(OC(C)=O)C(O)C(C)(C)C1CC4O

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 6
HBD: 6 FractionCSP3: 0.9
AlogP: 2.88 Num_rotatable_bonds: 7
MolWt: 736.94 Num_heavy_atoms: 52
TPSA: 192.44 NumAromaticRings: 0

Unique Aglycone
AD45468
Formula: C34H54O7

Smiles:
CC(=O)OCC12CCC3(C)C4C(=CCC3(C)C1C(O)CC2C(C)C)C1(C)CC(OC(C)=O)C(O)C(C)(C)C1CC4O
HBA: 7 RingCount: 5
HBD: 3 FractionCSP3: 0.88
AlogP: 5.05 Num_rotatable_bonds: 4
MolWt: 574.8 Num_heavy_atoms: 41
TPSA: 113.29 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O