Glycoside
GD128309
Name:
3,4,5-trihydroxy-6-{[4-(hydroxymethyl)-14-methoxy-4,6a,6b,8a,11,11,14b-heptamethyl-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}oxane-2-carboxylic acidFormula:
C37H58O10Smiles:
COC1C=C2C3CC(C)(C)CC(=O)C3(C)CCC2(C)C2(C)CCC3C(C)(CO)C(OC4OC(C(=O)O)C(O)C(O)C4O)CCC3(C)C12Aglycone:
COC1C=C2C3CC(C)(C)CC(=O)C3(C)CCC2(C)C2(C)CCC3C(C)(CO)C(O)CCC3(C)C12Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 3.86 | Num_rotatable_bonds: | 5 |
| MolWt: | 662.86 | Num_heavy_atoms: | 47 |
| TPSA: | 162.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD51977
Formula: C31H50O4
Smiles:
COC1C=C2C3CC(C)(C)CC(=O)C3(C)CCC2(C)C2(C)CCC3C(C)(CO)C(O)CCC3(C)C12| HBA: | 4 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.95 | Num_rotatable_bonds: | 2 |
| MolWt: | 486.74 | Num_heavy_atoms: | 35 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
