Glycoside
GD029068
Name:
NoneFormula:
C20H21O8N3Smiles:
O=C(C=C[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1O)N[C@H](Cc1ccccc1)C(=O)OAglycone:
C=CC(=O)NC(Cc1ccccc1)C(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.3 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 431.4 | Num_heavy_atoms: | 31 |
| TPSA: | 170.95 | NumAromaticRings: | 2 |
Unique Aglycone
AD00106
Formula: C4H4O2N2
Smiles:
O=c1cc[nH]c(=O)[nH]1| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | -0.94 | Num_rotatable_bonds: | 0 |
| MolWt: | 112.09 | Num_heavy_atoms: | 8 |
| TPSA: | 65.72 | NumAromaticRings: | 1 |
AD18947
Formula: C12H13O3N
Smiles:
C=CC(=O)NC(Cc1ccccc1)C(=O)O| HBA: | 4 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 0.98 | Num_rotatable_bonds: | 5 |
| MolWt: | 219.24 | Num_heavy_atoms: | 16 |
| TPSA: | 66.4 | NumAromaticRings: | 1 |
