Glycoside
GD017897
Name:
NoneFormula:
C21H23O8N5Smiles:
N[C@H](Cc1c[nH]c2ccccc12)C(=O)NC(C(=O)O)[C@@H]1O[C@H](n2ccc(=O)[nH]c2=O)[C@H](O)[C@H]1OAglycone:
NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 8 | FractionCSP3: | 0.33 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 7 |
| MolWt: | 473.44 | Num_heavy_atoms: | 34 |
| TPSA: | 212.76 | NumAromaticRings: | 3 |
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 |
AD07812
Formula: C13H15O3N3
Smiles:
NC(Cc1c[nH]c2ccccc12)C(=O)NCC(=O)O| HBA: | 6 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.23 |
| AlogP: | 0.24 | Num_rotatable_bonds: | 5 |
| MolWt: | 261.28 | Num_heavy_atoms: | 19 |
| TPSA: | 108.21 | NumAromaticRings: | 2 |
