Glycoside
GD142045
Name:
5-(2,3a-dihydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2H-pyran-2-oneFormula:
C30H44O10Smiles:
CC12CCC(OC3OC(CO)C(O)C(O)C3O)CC1CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)CC12OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)CC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.83 |
| AlogP: | 1.04 | Num_rotatable_bonds: | 4 |
| MolWt: | 564.67 | Num_heavy_atoms: | 40 |
| TPSA: | 170.05 | NumAromaticRings: | 1 |
Unique Aglycone
AD51036
Formula: C24H34O5
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)CC12O| HBA: | 5 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.79 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 1 |
| MolWt: | 402.53 | Num_heavy_atoms: | 29 |
| TPSA: | 90.9 | NumAromaticRings: | 1 |
