Glycoside
GD128288
Name:
4,5-dihydroxy-6-{[4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-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-[(3,4,5-trihydroxyoxan-2-yl)oxy]oxane-2-carboxylic acidFormula:
C40H62O13Smiles:
CC1(C)CCC2C(=O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(OC7OCC(O)C(O)C7O)C(O)C6O)C(C)(CO)C5CCC43C)C2C1Aglycone:
CC1(C)CCC2C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1Sugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OC1OCC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 2.31 | Num_rotatable_bonds: | 6 |
| MolWt: | 750.92 | Num_heavy_atoms: | 53 |
| TPSA: | 212.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD51970
Formula: C29H46O3
Smiles:
CC1(C)CCC2C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(CO)C5CCC43C)C2C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.93 | Num_rotatable_bonds: | 1 |
| MolWt: | 442.68 | Num_heavy_atoms: | 32 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
