Glycoside
GD115672
Name:
6-[(7-ethenyl-2-hydroxy-1,4a,7-trimethyl-1,2,3,4,4a,4b,5,6,7,8,10,10a-dodecahydrophenanthren-1-yl)methoxy]-3,4,5-trihydroxyoxane-2-carboxylic acidFormula:
C26H40O8Smiles:
C=CC1(C)CCC2C(=CCC3C(C)(COC4OC(C(=O)O)C(O)C(O)C4O)C(O)CCC23C)C1Aglycone:
C=CC1(C)CCC2C(=CCC3C(C)(CO)C(O)CCC23C)C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.81 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.6 | Num_heavy_atoms: | 34 |
| TPSA: | 136.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD10428
Formula: C20H32O2
Smiles:
C=CC1(C)CCC2C(=CCC3C(C)(CO)C(O)CCC23C)C1| HBA: | 2 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 2 |
| MolWt: | 304.47 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
