Glycoside
...
GD145757

Name:
6-({11-[(acetyloxy)methyl]-10-hydroxy-4,4,6a,6b,11,14b-hexamethyl-8a-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]carbonyl}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl}oxy)-3,4-dihydroxy-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C50H78O20

Smiles:
CC(=O)OCC1(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)OC2OC(C)C(O)C(O)C2O)CC1O

Aglycone:
CC(=O)OCC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1O

Sugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 10 FractionCSP3: 0.9
AlogP: 0.8 Num_rotatable_bonds: 9
MolWt: 999.15 Num_heavy_atoms: 70
TPSA: 318.12 NumAromaticRings: 0

Unique Aglycone
AD58488
Formula: C32H50O6

Smiles:
CC(=O)OCC1(C)CC2C3=CCC4C5(C)CCC(O)C(C)(C)C5CCC4(C)C3(C)CCC2(C(=O)O)CC1O
HBA: 6 RingCount: 5
HBD: 3 FractionCSP3: 0.88
AlogP: 5.75 Num_rotatable_bonds: 3
MolWt: 530.75 Num_heavy_atoms: 38
TPSA: 104.06 NumAromaticRings: 0

Sugarmoiety
SD09258

CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O