Glycoside
...
GD144260

Name:
4-(carboxyoxy)-10-[(5-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxan-2-yl]oxy}-4-hydroxy-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl)oxy]-4a-(hydroxymethyl)-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicen-5-yl hydrogen carbonate

Formula:
C54H86O26

Smiles:
CC1(C)CC(OC(=O)O)C2(CO)C(OC(=O)O)CC3(C)C(=CCC4C5(C)CCC(OC6OCC(OC7OC(CO)C(O)C(O)C7OC7OCC(O)C(O)C7O)C(O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1

Aglycone:
CC1(C)CC(OC(=O)O)C2(CO)C(OC(=O)O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1

Sugarmoiety:
OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 26 RingCount: 9
HBD: 14 FractionCSP3: 0.93
AlogP: -0.94 Num_rotatable_bonds: 13
MolWt: 1151.26 Num_heavy_atoms: 80
TPSA: 409.66 NumAromaticRings: 0

Unique Aglycone
AD57991
Formula: C32H50O8

Smiles:
CC1(C)CC(OC(=O)O)C2(CO)C(OC(=O)O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1
HBA: 8 RingCount: 5
HBD: 4 FractionCSP3: 0.88
AlogP: 6.49 Num_rotatable_bonds: 3
MolWt: 562.74 Num_heavy_atoms: 40
TPSA: 133.52 NumAromaticRings: 0

Sugarmoiety
SD00290

OCC1OC(OC2C(O)OCC(OC3OC(CO)C(O)C(O)C3OC3OCC(O)C(O)C3O)C2O)C(O)C(O)C1O