Glycoside
GD150362
Name:
6-[(4,4,6a,6b,11,11,14b-heptamethyl-8-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,14,14a,14b-icosahydropicen-3-yl)oxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C35H54O8Smiles:
CC1(C)CCC2C(=O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.89 |
| AlogP: | 4.87 | Num_rotatable_bonds: | 3 |
| MolWt: | 602.81 | Num_heavy_atoms: | 43 |
| TPSA: | 133.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD60069
Formula: C29H46O2
Smiles:
CC1(C)CCC2C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 2 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.9 |
| AlogP: | 6.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 426.69 | Num_heavy_atoms: | 31 |
| TPSA: | 37.3 | NumAromaticRings: | 0 |
