Glycoside
GD144912
Name:
4-{5a,10-dihydroxy-9a,11a-dimethyl-7-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C29H44O9Smiles:
CC1OC(OC2CCC3(C)C4C(O)CC5(C)C(C6=CC(=O)OC6)CCC5C4CCC3(O)C2)C(O)C(O)C1OAglycone:
CC12CC(O)C3C(CCC4(O)CC(O)CCC34C)C1CCC2C1=CC(=O)OC1Sugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 3 |
| MolWt: | 536.66 | Num_heavy_atoms: | 38 |
| TPSA: | 145.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD58194
Formula: C23H34O5
Smiles:
CC12CC(O)C3C(CCC4(O)CC(O)CCC34C)C1CCC2C1=CC(=O)OC1| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.87 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 390.52 | Num_heavy_atoms: | 28 |
| TPSA: | 86.99 | NumAromaticRings: | 0 |
