Glycoside
GD019733
Name:
NoneFormula:
C42H47O8NSmiles:
CC(C)(C)OC(=O)C1C(=O)NC(=O)CC1C(OCc1ccccc1)C(OCc1ccccc1)C(COCc1ccccc1)OCc1ccccc1Aglycone:
CC(C)(C)OC(=O)C1CCC(=O)NC1=O.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
OOCC(OO)C(OO)C(O)OOOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.36 |
| AlogP: | 6.58 | Num_rotatable_bonds: | 17 |
| MolWt: | 693.84 | Num_heavy_atoms: | 51 |
| TPSA: | 109.39 | NumAromaticRings: | 4 |
Unique Aglycone
AD00274
Formula: C7H8
Smiles:
Cc1ccccc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.14 |
| AlogP: | 2.0 | Num_rotatable_bonds: | 0 |
| MolWt: | 92.14 | Num_heavy_atoms: | 7 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
AD13735
Formula: C10H15O4N
Smiles:
CC(C)(C)OC(=O)C1CCC(=O)NC1=O| HBA: | 5 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.7 |
| AlogP: | 0.38 | Num_rotatable_bonds: | 1 |
| MolWt: | 213.23 | Num_heavy_atoms: | 15 |
| TPSA: | 72.47 | NumAromaticRings: | 0 |
