Glycoside
GD033069
Name:
NoneFormula:
C30H44O8N2Smiles:
CC(C)[C@@H](CO)NC(=O)[C@@H](OCc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)N[C@@H](CO)C(C)CAglycone:
CC(C)C(N)CO.CC(C)C(N)CO.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 2 |
| HBD: | 6 | FractionCSP3: | 0.53 |
| AlogP: | 1.15 | Num_rotatable_bonds: | 17 |
| MolWt: | 560.69 | Num_heavy_atoms: | 40 |
| TPSA: | 157.58 | NumAromaticRings: | 2 |
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 |
AD21134
Formula: C5H13ON
Smiles:
CC(C)C(N)CO| HBA: | 2 | RingCount: | 0 |
| HBD: | 3 | FractionCSP3: | 1.0 |
| AlogP: | -0.04 | Num_rotatable_bonds: | 2 |
| MolWt: | 103.16 | Num_heavy_atoms: | 7 |
| TPSA: | 46.25 | NumAromaticRings: | 0 |
