Glycoside
...
GD116938

Name:
3,4-dihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,8a,11,14b-hexamethyl-11-({[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]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}-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acid

Formula:
C48H76O18

Smiles:
CC1(C(=O)OC2CC(CO)C(O)C(O)C2O)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1

Aglycone:
CC1(C(=O)OC2CC(CO)C(O)C(O)C2O)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 11 FractionCSP3: 0.92
AlogP: 0.51 Num_rotatable_bonds: 9
MolWt: 941.12 Num_heavy_atoms: 66
TPSA: 302.82 NumAromaticRings: 0

Unique Aglycone
AD46538
Formula: C37H60O8

Smiles:
CC1(C(=O)OC2CC(CO)C(O)C(O)C2O)CCC2(C)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1
HBA: 8 RingCount: 6
HBD: 6 FractionCSP3: 0.92
AlogP: 4.13 Num_rotatable_bonds: 4
MolWt: 632.88 Num_heavy_atoms: 45
TPSA: 147.68 NumAromaticRings: 0

Sugarmoiety
SD01198

O=C(O)C1OC(O)C(OC2OCC(O)C(O)C2O)C(O)C1O