Glycoside
GD032752
Name:
NoneFormula:
C43H46O10N10Smiles:
CC(=O)c1cccc(NC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)N[C@H](CNC(=O)[C@H](N)Cc2c[nH]c3ccccc23)C(=O)NC[C@@H]2O[C@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@H]2O)c1Aglycone:
CNC(=O)C(CNC(=O)C(N)Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Nc1cccc(C(C)=O)c1.O=c1cc[nH]c(=O)[nH]1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.28 |
| AlogP: | 0.04 | Num_rotatable_bonds: | 16 |
| MolWt: | 862.9 | Num_heavy_atoms: | 63 |
| TPSA: | 307.65 | NumAromaticRings: | 6 |
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 |
AD20965
Formula: C35H38O5N8
Smiles:
CNC(=O)C(CNC(=O)C(N)Cc1c[nH]c2ccccc12)NC(=O)C(Cc1c[nH]c2ccccc12)NC(=O)Nc1cccc(C(C)=O)c1| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.23 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 13 |
| MolWt: | 650.74 | Num_heavy_atoms: | 48 |
| TPSA: | 203.1 | NumAromaticRings: | 5 |
