Glycoside
GD122270
Name:
Tupisteroide AFormula:
C32H48O13Smiles:
C=C1CCC2(OC1)OC1CC3C4C(O)C(=O)C5(O)C(OC6OCC(O)C(O)C6O)C(O)C(O)C(O)C5(C)C4CCC3(C)C1C2CAglycone:
C=C1CCC2(OC1)OC1CC3C4C(O)C(=O)C5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C1C2CSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.91 |
| AlogP: | -1.65 | Num_rotatable_bonds: | 2 |
| MolWt: | 640.72 | Num_heavy_atoms: | 45 |
| TPSA: | 215.83 | NumAromaticRings: | 0 |
Unique Aglycone
AD49255
Formula: C27H40O9
Smiles:
C=C1CCC2(OC1)OC1CC3C4C(O)C(=O)C5(O)C(O)C(O)C(O)C(O)C5(C)C4CCC3(C)C1C2C| HBA: | 9 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.89 |
| AlogP: | -0.11 | Num_rotatable_bonds: | 0 |
| MolWt: | 508.61 | Num_heavy_atoms: | 36 |
| TPSA: | 156.91 | NumAromaticRings: | 0 |
