Glycoside
GD124363
Name:
6-{[4,11-bis(hydroxymethyl)-14-methoxy-4,6a,6b,8a,11,14b-hexamethyl-9-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-dihydroxy-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxane-2-carboxylic acidFormula:
C43H68O16Smiles:
COC1C=C2C3CC(C)(CO)CC(=O)C3(C)CCC2(C)C2(C)CCC3C(C)(CO)C(OC4OC(C(=O)O)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)CCC3(C)C12Aglycone:
COC1C=C2C3CC(C)(CO)CC(=O)C3(C)CCC2(C)C2(C)CCC3C(C)(CO)C(O)CCC3(C)C12Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.91 |
| AlogP: | 0.66 | Num_rotatable_bonds: | 9 |
| MolWt: | 841.0 | Num_heavy_atoms: | 59 |
| TPSA: | 262.36 | NumAromaticRings: | 0 |
Unique Aglycone
AD50232
Formula: C31H50O5
Smiles:
COC1C=C2C3CC(C)(CO)CC(=O)C3(C)CCC2(C)C2(C)CCC3C(C)(CO)C(O)CCC3(C)C12| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 4.92 | Num_rotatable_bonds: | 3 |
| MolWt: | 502.74 | Num_heavy_atoms: | 36 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
