Glycoside
...
GD123905

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

Formula:
C49H76O20

Smiles:
CC(=O)OC1CC(C)(C(=O)O)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OCC(O)C(O)C6OC6OC(C)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CCC12C

Aglycone:
CC(=O)OC1CC(C)(C(=O)O)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC12C

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

Other Identifiers

Properties
HBA: 20 RingCount: 8
HBD: 10 FractionCSP3: 0.9
AlogP: 0.98 Num_rotatable_bonds: 10
MolWt: 985.13 Num_heavy_atoms: 69
TPSA: 318.12 NumAromaticRings: 0

Unique Aglycone
AD49399
Formula: C32H50O6

Smiles:
CC(=O)OC1CC(C)(C(=O)O)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC12C
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
SD00541

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