Glycoside
GD134933
Name:
1-(7-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-3a-hydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)ethan-1-oneFormula:
C28H46O8Smiles:
COC1C(O)C(CO)OC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C(C)=O)CCC43O)C2)C1OAglycone:
CC(=O)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12CSugarmoiety:
COC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.96 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 5 |
| MolWt: | 510.67 | Num_heavy_atoms: | 36 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD54583
Formula: C21H34O3
Smiles:
CC(=O)C1CCC2(O)C3CCC4CC(O)CCC4(C)C3CCC12C| HBA: | 3 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.95 |
| AlogP: | 3.71 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
