Glycoside
GD003577
Name:
NoneFormula:
C38H43O13N9Smiles:
COc1ccc(NC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](CNC(=O)[C@H](N)Cc2ccc([N+](=O)[O-])cc2)C(=O)NC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)cc1Aglycone:
CNC(=O)C(CNC(=O)C(N)Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)Nc1ccc(OC)cc1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 11 | FractionCSP3: | 0.32 |
| AlogP: | -1.5 | Num_rotatable_bonds: | 17 |
| MolWt: | 833.81 | Num_heavy_atoms: | 60 |
| TPSA: | 331.6 | NumAromaticRings: | 4 |
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 |
AD03235
Formula: C30H35O8N7
Smiles:
CNC(=O)C(CNC(=O)C(N)Cc1ccc([N+](=O)[O-])cc1)NC(=O)C(Cc1ccc(O)cc1)NC(=O)Nc1ccc(OC)cc1| HBA: | 15 | RingCount: | 3 |
| HBD: | 8 | FractionCSP3: | 0.27 |
| AlogP: | 0.96 | Num_rotatable_bonds: | 14 |
| MolWt: | 621.65 | Num_heavy_atoms: | 45 |
| TPSA: | 227.05 | NumAromaticRings: | 3 |
