Glycoside
GD131055
Name:
6-{[9-(acetyloxy)-8,10-dihydroxy-4,8a-bis(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-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:
C38H60O13Smiles:
CC(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21COAglycone:
CC(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21COSugarmoiety:
O=C(O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | 1.51 | Num_rotatable_bonds: | 6 |
| MolWt: | 724.88 | Num_heavy_atoms: | 51 |
| TPSA: | 223.67 | NumAromaticRings: | 0 |
Unique Aglycone
AD12345
Formula: C32H52O7
Smiles:
CC(=O)OC1C(O)C(C)(C)CC2C3=CCC4C5(C)CCC(O)C(C)(CO)C5CCC4(C)C3(C)CC(O)C21CO| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.91 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 3 |
| MolWt: | 548.76 | Num_heavy_atoms: | 39 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
