Glycoside
...
GD154644

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

Formula:
C53H84O21

Smiles:
CC1OC(OC2C(O)C(OC3CCC4(C)C(CCC5(C)C6CCC7(C(=O)OC8CC(CO)C(O)C(O)C8OC8OCC(O)C(O)C8O)CCC(C)(C)CC7C6=CCC54)C3(C)C)OC(C(=O)O)C2O)C(O)C(O)C1O

Aglycone:
CC1(C)CCC2(C(=O)OC3CC(CO)C(O)C(O)C3O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1

Sugarmoiety:
CC1OC(OC2C(O)C(O)OC(C(=O)O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 12 FractionCSP3: 0.92
AlogP: 0.0 Num_rotatable_bonds: 10
MolWt: 1057.23 Num_heavy_atoms: 74
TPSA: 341.51 NumAromaticRings: 0

Unique Aglycone
AD61399
Formula: C36H58O7

Smiles:
CC1(C)CCC2(C(=O)OC3CC(CO)C(O)C(O)C3O)CCC3C(=CCC4C3(C)CCC3C(C)(C)C(O)CCC34C)C2C1
HBA: 7 RingCount: 6
HBD: 5 FractionCSP3: 0.92
AlogP: 4.77 Num_rotatable_bonds: 3
MolWt: 602.85 Num_heavy_atoms: 43
TPSA: 127.45 NumAromaticRings: 0

Sugarmoiety
SD10257

CC1OC(OC2C(O)C(O)OC(C(=O)O)C2O)C(O)C(O)C1O.OC1COC(O)C(O)C1O