Glycoside
GD015238
Name:
NoneFormula:
C39H67O14NSmiles:
CC[C@@H]1OC(O)=CC(=O)[C@H](C)[C@H](OC2OC(C)C(O)C(N(C)C)C2O)[C@H](CC=O)C[C@H](C)C(=O)CCC(C)C[C@H]1COC1OC(C)C(O)C(OC)C1OCAglycone:
CCC1OC(O)=CC(=O)C(C)C(O)C(CC=O)CC(C)C(=O)CCC(C)CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 15 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.87 |
| AlogP: | 2.56 | Num_rotatable_bonds: | 11 |
| MolWt: | 773.96 | Num_heavy_atoms: | 54 |
| TPSA: | 199.98 | NumAromaticRings: | 0 |
Unique Aglycone
AD11095
Formula: C23H38O7
Smiles:
CCC1OC(O)=CC(=O)C(C)C(O)C(CC=O)CC(C)C(=O)CCC(C)CC1CO| HBA: | 7 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.78 |
| AlogP: | 2.98 | Num_rotatable_bonds: | 4 |
| MolWt: | 426.55 | Num_heavy_atoms: | 30 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
