Glycoside
GD126177
Name:
5-(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-2,3a-dihydroxy-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-2H-pyran-2-oneFormula:
C36H54O15Smiles:
CC12CCC(OC3OC(CO)C(OC4OC(CO)C(O)C(O)C4O)C(O)C3O)CC1CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)CC12OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(c3ccc(=O)oc3)C(O)CC12OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.86 |
| AlogP: | -1.14 | Num_rotatable_bonds: | 7 |
| MolWt: | 726.81 | Num_heavy_atoms: | 51 |
| TPSA: | 249.2 | 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 |
