Glycoside
GD114930
Name:
YuccalanFormula:
C39H64O15Smiles:
CC1C2C(CC3C4CC(O)C5CC(OC6OC(COC7OC(CO)C(O)C(O)C7O)C(O)C(O)C6O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2Aglycone:
CC1C2C(CC3C4CC(O)C5CC(O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 8 |
| HBD: | 9 | FractionCSP3: | 1.0 |
| AlogP: | -0.61 | Num_rotatable_bonds: | 7 |
| MolWt: | 772.93 | Num_heavy_atoms: | 54 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD45369
Formula: C27H44O5
Smiles:
CC1C2C(CC3C4CC(O)C5CC(O)CCC5(C)C4CCC32C)OC12CCC(CO)CO2| HBA: | 5 | RingCount: | 6 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | 3.74 | Num_rotatable_bonds: | 1 |
| MolWt: | 448.64 | Num_heavy_atoms: | 32 |
| TPSA: | 79.15 | NumAromaticRings: | 0 |
