Glycoside

GD129932
Name:
10-{[4-(acetyloxy)-3,5-dihydroxyoxan-2-yl]oxy}-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-icosahydropicene-4a-carboxylic acidFormula:
C37H58O8Smiles:
CC(=O)OC1C(O)COC(OC2CCC3(C)C(CCC4(C)C3CC=C3C5CC(C)(C)CCC5(C(=O)O)CCC34C)C2(C)C)C1OAglycone:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
CC(=O)OC1C(O)COC(O)C1OOther Identifiers
Properties
HBA: | 8 | RingCount: | 6 |
HBD: | 3 | FractionCSP3: | 0.89 |
AlogP: | 6.27 | Num_rotatable_bonds: | 4 |
MolWt: | 630.86 | Num_heavy_atoms: | 45 |
TPSA: | 122.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD00086
Formula: C30H48O3
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1HBA: | 3 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.9 |
AlogP: | 7.23 | Num_rotatable_bonds: | 1 |
MolWt: | 456.71 | Num_heavy_atoms: | 33 |
TPSA: | 57.53 | NumAromaticRings: | 0 |