Glycoside
...
GD142240

Name:
6-({6-[(2-{[8a-carboxy-2,8-dihydroxy-4,11-bis(hydroxymethyl)-4,6a,6b,11,14b-pentamethyl-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-6-(hydroxymethyl)oxan-4-yl)oxy]-4-hydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-3-yl}oxy)-3,4,5-trihydroxyoxane-2-carboxylic acid

Formula:
C53H84O27

Smiles:
CC1(CO)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(OC6OC(CO)C(O)C(OC7OCC(OC8OC(C(=O)O)C(O)C(O)C8O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6O)C(C)(CO)C5CCC43C)C2C1

Aglycone:
CC1(CO)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1

Sugarmoiety:
O=C(O)C1OC(OC2COC(OC3C(O)C(O)OC(CO)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 9
HBD: 17 FractionCSP3: 0.92
AlogP: -4.85 Num_rotatable_bonds: 14
MolWt: 1153.23 Num_heavy_atoms: 80
TPSA: 451.89 NumAromaticRings: 0

Unique Aglycone
AD55164
Formula: C30H48O7

Smiles:
CC1(CO)CCC2(C(=O)O)C(O)CC3(C)C(=CCC4C5(C)CC(O)C(O)C(C)(CO)C5CCC43C)C2C1
HBA: 7 RingCount: 5
HBD: 6 FractionCSP3: 0.9
AlogP: 3.12 Num_rotatable_bonds: 3
MolWt: 520.71 Num_heavy_atoms: 37
TPSA: 138.45 NumAromaticRings: 0

Sugarmoiety
SD08828

O=C(O)C1OC(OC2COC(OC3C(O)C(O)OC(CO)C3O)C(OC3OC(CO)C(O)C(O)C3O)C2O)C(O)C(O)C1O