Glycoside
GD123880
Name:
7-{[4,5-dihydroxy-2-(hydroxymethyl)-6-[(3,4,5-trihydroxyoxan-2-yl)methoxy]oxan-3-yl]oxy}-1-(2-hydroxy-5-methylhex-4-en-2-yl)-9a-(hydroxymethyl)-3a,3b,6,6-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-2-oneFormula:
C41H68O13Smiles:
CC(C)=CCC(C)(O)C1C(=O)CC2(C)C1CCC1C3(CO)CCC(OC4C(CO)OC(OCC5OCC(O)C(O)C5O)C(O)C4O)C(C)(C)C3CCC12CAglycone:
CC(C)=CCC(C)(O)C1C(=O)CC2(C)C1CCC1C3(CO)CCC(O)C(C)(C)C3CCC12CSugarmoiety:
OCC1OC(OCC2OCC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.93 |
| AlogP: | 1.62 | Num_rotatable_bonds: | 10 |
| MolWt: | 768.98 | Num_heavy_atoms: | 54 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD50019
Formula: C29H48O4
Smiles:
CC(C)=CCC(C)(O)C1C(=O)CC2(C)C1CCC1C3(CO)CCC(O)C(C)(C)C3CCC12C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 5.29 | Num_rotatable_bonds: | 4 |
| MolWt: | 460.7 | Num_heavy_atoms: | 33 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
