Glycoside
GD115034
Name:
5-(2,3a,5a-trihydroxy-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:
C30H44O11Smiles:
CC12CCC(OC3OC(CO)C(O)C(O)C3O)CC1(O)CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)CC12OAglycone:
CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)CC12OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.83 |
| AlogP: | 0.15 | Num_rotatable_bonds: | 4 |
| MolWt: | 580.67 | Num_heavy_atoms: | 41 |
| TPSA: | 190.28 | NumAromaticRings: | 1 |
Unique Aglycone
AD45432
Formula: C24H34O6
Smiles:
CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)CC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.79 |
| AlogP: | 2.33 | Num_rotatable_bonds: | 1 |
| MolWt: | 418.53 | Num_heavy_atoms: | 30 |
| TPSA: | 111.13 | NumAromaticRings: | 1 |
