Glycoside
...
GD127601

Name:
6-{[8a-({[5-(carboxyoxy)-4-{[3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxy}-3-({3,4-dihydroxy-6-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl}oxy)-6-methyloxan-2-yl]oxy}carbonyl)-4-hydroxy-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-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acid

Formula:
C64H100O33

Smiles:
CC1OC(OC2C(OC(=O)C34CCC(C)(C)CC3C3=CCC5C6(C)CCC(OC7OC(C(=O)O)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C(C)(O)C6CCC5(C)C3(C)CC4)OC(C)C(OC(=O)O)C2OC2OC(CO)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O

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

Sugarmoiety:
CC1OC(OC2C(O)OC(C)C(OC(=O)O)C2OC2OC(CO)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O.O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O

Other Identifiers

Properties
HBA: 33 RingCount: 11
HBD: 17 FractionCSP3: 0.92
AlogP: -3.53 Num_rotatable_bonds: 16
MolWt: 1397.47 Num_heavy_atoms: 97
TPSA: 515.11 NumAromaticRings: 0

Unique Aglycone
AD50436
Formula: C29H46O4

Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(O)C5CCC43C)C2C1
HBA: 4 RingCount: 5
HBD: 3 FractionCSP3: 0.9
AlogP: 5.96 Num_rotatable_bonds: 1
MolWt: 458.68 Num_heavy_atoms: 33
TPSA: 77.76 NumAromaticRings: 0

Sugarmoiety
SD05079

CC1OC(OC2C(O)OC(C)C(OC(=O)O)C2OC2OC(CO)C(O)C2O)C(O)C(O)C1OC1OCC(O)C(O)C1O.O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1O