Glycoside
...
GD143681

Name:
6-{[8a-({[5-(acetyloxy)-3-[(3,5-dihydroxy-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-6-methyl-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}carbonyl)-4-carboxy-2,9-dihydroxy-4,6a,6b,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}-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C62H96O32

Smiles:
CC(=O)OC1C(C)OC(OC(=O)C23CCC4(C)C(=CCC5C6(C)CC(O)C(OC7OC(C(=O)O)C(O)C(O)C7O)C(C)(C(=O)O)C6CCC54C)C2CC(C)(C)CC3O)C(OC2OC(C)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OC1OC(CO)C(O)C(O)C1O

Aglycone:
CC1(C)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1

Sugarmoiety:
CC(=O)OC1C(C)OC(O)C(OC2OC(C)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OC1OC(CO)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 32 RingCount: 10
HBD: 17 FractionCSP3: 0.9
AlogP: -4.49 Num_rotatable_bonds: 15
MolWt: 1353.42 Num_heavy_atoms: 94
TPSA: 513.72 NumAromaticRings: 0

Unique Aglycone
AD50441
Formula: C30H46O7

Smiles:
CC1(C)CC(O)C2(C(=O)O)CCC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(C(=O)O)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 5 FractionCSP3: 0.87
AlogP: 4.24 Num_rotatable_bonds: 2
MolWt: 518.69 Num_heavy_atoms: 37
TPSA: 135.29 NumAromaticRings: 0

Sugarmoiety
SD08991

CC(=O)OC1C(C)OC(O)C(OC2OC(C)C(O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C1OC1OC(CO)C(O)C(O)C1O.O=C(O)C1OC(O)C(O)C(O)C1O