Glycoside
GD125014
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-1-(2,3-dihydroxy-6-methylheptan-2-yl)-3a-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-oneFormula:
C39H66O14Smiles:
CC(C)CCC(O)C(C)(O)C1CCC2(O)C3CC(=O)C4CC(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC12CAglycone:
CC(C)CCC(O)C(C)(O)C1CCC2(O)C3CC(=O)C4CC(O)CCC4(C)C3CCC12CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.97 |
| AlogP: | 0.52 | Num_rotatable_bonds: | 10 |
| MolWt: | 758.94 | Num_heavy_atoms: | 53 |
| TPSA: | 236.06 | NumAromaticRings: | 0 |
Unique Aglycone
AD50554
Formula: C27H46O5
Smiles:
CC(C)CCC(O)C(C)(O)C1CCC2(O)C3CC(=O)C4CC(O)CCC4(C)C3CCC12C| HBA: | 5 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.96 |
| AlogP: | 3.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 450.66 | Num_heavy_atoms: | 32 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
