Glycoside
GD140422
Name:
9-({4,5-dihydroxy-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl}oxy)-2,4-dihydroxy-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-icosahydro-1H-cyclopenta[a]chrysen-7-oneFormula:
C41H68O13Smiles:
CC1OC(OC2C(OC3CCC4(C)C(C(=O)CC5(C)C4CCC4C6(C)CC(O)C(C(C)(C)O)C6C(O)CC45C)C3(C)C)OCC(O)C2O)C(O)C(O)C1OAglycone:
CC(C)(O)C1C(O)CC2(C)C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(=O)CC21CSugarmoiety:
CC1OC(OC2C(O)OCC(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.98 |
| AlogP: | 1.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 768.98 | Num_heavy_atoms: | 54 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD56626
Formula: C30H50O5
Smiles:
CC(C)(O)C1C(O)CC2(C)C1C(O)CC1(C)C2CCC2C3(C)CCC(O)C(C)(C)C3C(=O)CC21C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.97 |
| AlogP: | 4.34 | Num_rotatable_bonds: | 1 |
| MolWt: | 490.73 | Num_heavy_atoms: | 35 |
| TPSA: | 97.99 | NumAromaticRings: | 0 |
