Glycoside

GD122149
Name:
2,2,6a,6b,9,9,12a-heptamethyl-10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4-carboxylic acidFormula:
C36H58O8Smiles:
CC1(C)CC(C(=O)O)C2CCC3(C)C(=CCC4C5(C)CCC(OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CC(C(=O)O)C2CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 8 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.92 |
AlogP: | 4.91 | Num_rotatable_bonds: | 4 |
MolWt: | 618.85 | Num_heavy_atoms: | 44 |
TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD44800
Formula: C30H48O3
Smiles:
CC1(C)CC(C(=O)O)C2CCC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1HBA: | 3 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.9 |
AlogP: | 7.09 | Num_rotatable_bonds: | 1 |
MolWt: | 456.71 | Num_heavy_atoms: | 33 |
TPSA: | 57.53 | NumAromaticRings: | 0 |