Glycoside
GD119754
Name:
3,5-dihydroxy-2-{[1-hydroxy-1-(1-hydroxyethyl)-9a,11a-dimethyl-1H,2H,3H,3aH,3bH,5aH,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl]oxy}-6-methyloxan-4-yl acetateFormula:
C29H46O8Smiles:
CC(=O)OC1C(O)C(C)OC(OC2CCC3(C)C(C=CC4C3CCC3(C)C4CCC3(O)C(C)O)C2)C1OAglycone:
CC(O)C1(O)CCC2C3C=CC4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC(=O)OC1C(O)C(C)OC(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.9 |
| AlogP: | 2.7 | Num_rotatable_bonds: | 4 |
| MolWt: | 522.68 | Num_heavy_atoms: | 37 |
| TPSA: | 125.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD46010
Formula: C21H34O3
Smiles:
CC(O)C1(O)CCC2C3C=CC4CC(O)CCC4(C)C3CCC21C| HBA: | 3 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 1 |
| MolWt: | 334.5 | Num_heavy_atoms: | 24 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
