Glycoside
...
GD124554

Name:
6-{[9-(acetyloxy)-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,14a,14b-icosahydropicen-2-yl]oxy}-5-({6-carboxy-4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-3,4-dihydroxyoxane-2-carboxylic acid

Formula:
C50H76O21

Smiles:
CC(=O)OC1CC(C)(C(=O)O)CC2C3C=CC4C5(C)CC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C(=O)O)C(O)C(O)C6OC6OC(C)C(O)C(O)C6O)CC(C)(C)C5CCC4(C)C3(C)CCC12C

Aglycone:
CC(=O)OC1CC(C)(C(=O)O)CC2C3C=CC4C5(C)CC(O)CC(C)(C)C5CCC4(C)C3(C)CCC12C

Sugarmoiety:
CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 8
HBD: 10 FractionCSP3: 0.88
AlogP: 1.32 Num_rotatable_bonds: 10
MolWt: 1013.14 Num_heavy_atoms: 71
TPSA: 335.19 NumAromaticRings: 0

Unique Aglycone
AD50325
Formula: C32H50O5

Smiles:
CC(=O)OC1CC(C)(C(=O)O)CC2C3C=CC4C5(C)CC(O)CC(C)(C)C5CCC4(C)C3(C)CCC12C
HBA: 5 RingCount: 5
HBD: 2 FractionCSP3: 0.88
AlogP: 6.63 Num_rotatable_bonds: 2
MolWt: 514.75 Num_heavy_atoms: 37
TPSA: 83.83 NumAromaticRings: 0

Sugarmoiety
SD00126

CC1OC(OC2C(OC3C(O)OC(C(=O)O)C(O)C3O)OC(C(=O)O)C(O)C2O)C(O)C(O)C1O