Glycoside
GD006356
Name:
NoneFormula:
C40H46O10N4Smiles:
CNC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](OCc1ccccc1)[C@H](O)[C@H](O)[C@H](OCc1ccccc1)C(=O)N[C@H](Cc1ccc(O)cc1)C(=O)NCAglycone:
CNC(=O)C(N)Cc1ccc(O)cc1.CNC(=O)C(N)Cc1ccc(O)cc1.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.3 |
| AlogP: | 1.24 | Num_rotatable_bonds: | 19 |
| MolWt: | 742.83 | Num_heavy_atoms: | 54 |
| TPSA: | 215.78 | 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 |
AD05274
Formula: C10H14O2N2
Smiles:
CNC(=O)C(N)Cc1ccc(O)cc1| HBA: | 4 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 0.01 | Num_rotatable_bonds: | 3 |
| MolWt: | 194.23 | Num_heavy_atoms: | 14 |
| TPSA: | 75.35 | NumAromaticRings: | 1 |
