Glycoside
GD138298
Name:
4-(3a,5a,10-trihydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2,5-dihydrofuran-2-oneFormula:
C29H44O11Smiles:
CC12CCC(OC3OC(CO)C(O)C(O)C3O)CC1(O)CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12OAglycone:
CC12CCC(O)CC1(O)CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | -0.49 | Num_rotatable_bonds: | 4 |
| MolWt: | 568.66 | Num_heavy_atoms: | 40 |
| TPSA: | 186.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD45889
Formula: C23H34O6
Smiles:
CC12CCC(O)CC1(O)CCC1C2C(O)CC2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 1.69 | Num_rotatable_bonds: | 1 |
| MolWt: | 406.52 | Num_heavy_atoms: | 29 |
| TPSA: | 107.22 | NumAromaticRings: | 0 |
