Glycoside
GD124293
Name:
Dmdm IvFormula:
C37H63O12NSmiles:
CCC1OC(=O)C=CC(C)C(OC2OC(C)C(O)C(N(C)C)C2O)C(C)CC(C)C(=O)CCC=CC1COC1OC(C)C(O)C(OC)C1OCAglycone:
CCC1OC(=O)C=CC(C)C(O)C(C)CC(C)C(=O)CCC=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 13 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.84 |
| AlogP: | 2.63 | Num_rotatable_bonds: | 9 |
| MolWt: | 713.91 | Num_heavy_atoms: | 50 |
| TPSA: | 162.68 | NumAromaticRings: | 0 |
Unique Aglycone
AD50202
Formula: C21H34O5
Smiles:
CCC1OC(=O)C=CC(C)C(O)C(C)CC(C)C(=O)CCC=CC1CO| HBA: | 5 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.71 |
| AlogP: | 3.05 | Num_rotatable_bonds: | 2 |
| MolWt: | 366.5 | Num_heavy_atoms: | 26 |
| TPSA: | 83.83 | NumAromaticRings: | 0 |
