Glycoside
GD121294
Name:
6-{[8a-carboxy-4,4,6a,11,11,14b-hexamethyl-6b-(3-oxopropyl)-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:
C38H58O10Smiles:
CC1(C)CCC2(C(=O)O)CCC3(CCC=O)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2(C(=O)O)CCC3(CCC=O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.87 |
| AlogP: | 5.11 | Num_rotatable_bonds: | 7 |
| MolWt: | 674.87 | Num_heavy_atoms: | 48 |
| TPSA: | 170.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD48816
Formula: C32H50O4
Smiles:
CC1(C)CCC2(C(=O)O)CCC3(CCC=O)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2C1| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 7.19 | Num_rotatable_bonds: | 4 |
| MolWt: | 498.75 | Num_heavy_atoms: | 36 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
