Glycoside
GD031655
Name:
NoneFormula:
C34H36O8N2Smiles:
Cc1c(O)cccc1NC(=O)[C@@H](OCc1ccccc1)[C@@H](O)[C@@H](O)[C@@H](OCc1ccccc1)C(=O)Nc1cccc(O)c1CAglycone:
Cc1c(N)cccc1O.Cc1c(N)cccc1O.Cc1ccccc1.Cc1ccccc1Sugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.24 |
| AlogP: | 4.18 | Num_rotatable_bonds: | 13 |
| MolWt: | 600.67 | Num_heavy_atoms: | 44 |
| TPSA: | 157.58 | 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 |
AD20372
Formula: C7H9ON
Smiles:
Cc1c(N)cccc1O| HBA: | 2 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.14 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 0 |
| MolWt: | 123.15 | Num_heavy_atoms: | 9 |
| TPSA: | 46.25 | NumAromaticRings: | 1 |
