Glycoside
...
GD133488

Name:
6-{[9-(acetyloxy)-10-hydroxy-4,11-bis(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:
C49H78O20

Smiles:
CC(=O)OC1C(O)C(C)(CO)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)CCC21C

Aglycone:
CC(=O)OC1C(O)C(C)(CO)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC21C

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: 11 FractionCSP3: 0.92
AlogP: -0.14 Num_rotatable_bonds: 10
MolWt: 987.14 Num_heavy_atoms: 69
TPSA: 321.28 NumAromaticRings: 0

Unique Aglycone
AD54027
Formula: C32H52O6

Smiles:
CC(=O)OC1C(O)C(C)(CO)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CCC21C
HBA: 6 RingCount: 5
HBD: 4 FractionCSP3: 0.91
AlogP: 4.63 Num_rotatable_bonds: 3
MolWt: 532.76 Num_heavy_atoms: 38
TPSA: 107.22 NumAromaticRings: 0

Sugarmoiety
SD00541

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