Glycoside
GD002448
Name:
NoneFormula:
C44H53O12N7Smiles:
NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CCC(=O)N[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1OAglycone:
NC(=O)CCC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(N)=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.41 |
| AlogP: | -1.47 | Num_rotatable_bonds: | 18 |
| MolWt: | 871.95 | Num_heavy_atoms: | 63 |
| TPSA: | 305.97 | NumAromaticRings: | 4 |
Unique Aglycone
AD01963
Formula: C38H43O7N7
Smiles:
NC(=O)CCC(=O)NC(Cc1ccc(O)cc1)C(=O)N1CCCC1C(=O)NC(Cc1c[nH]c2ccccc12)C(=O)NC(Cc1ccccc1)C(N)=O| HBA: | 14 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.32 |
| AlogP: | 1.1 | Num_rotatable_bonds: | 16 |
| MolWt: | 709.8 | Num_heavy_atoms: | 52 |
| TPSA: | 229.81 | NumAromaticRings: | 4 |
