Glycoside
GD025118
Name:
NoneFormula:
C41H55O19N7Smiles:
CC(C)C[C@H](NC(=O)NC1OC(C(=O)NC2OC(C(=O)O)C(O)C(O)C2O)C(O)C(O)C1O)C(=O)N[C@H](Cc1ccccc1)C(=O)NCC(=O)NCC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)OAglycone:
CC(C)CC(NC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)OSugarmoiety:
O=C(NC1OC(C(=O)O)C(O)C(O)C1O)C1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 26 | RingCount: | 4 |
| HBD: | 16 | FractionCSP3: | 0.51 |
| AlogP: | -6.01 | Num_rotatable_bonds: | 20 |
| MolWt: | 949.92 | Num_heavy_atoms: | 67 |
| TPSA: | 421.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD03078
Formula: C29H38O8N6
Smiles:
CC(C)CC(NC(N)=O)C(=O)NC(Cc1ccccc1)C(=O)NCC(=O)NCC(=O)NC(Cc1ccc(O)cc1)C(=O)O| HBA: | 14 | RingCount: | 2 |
| HBD: | 9 | FractionCSP3: | 0.38 |
| AlogP: | -0.45 | Num_rotatable_bonds: | 16 |
| MolWt: | 598.66 | Num_heavy_atoms: | 43 |
| TPSA: | 229.05 | NumAromaticRings: | 2 |
