Glycoside
GD009341
Name:
NoneFormula:
C38H57O11N7Smiles:
CCn1c2ccccc2c2cc(NC(=O)[C@H](CCCCN)NC(=O)CNC(=O)[C@H](CC(C)C)NC(=O)[C@H](NC(=O)C(O)C(O)C(O)C(O)CO)[C@H](C)O)ccc21Aglycone:
CCn1c2ccccc2c2cc(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(N)C(C)O)ccc21Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 18 | RingCount: | 3 |
| HBD: | 13 | FractionCSP3: | 0.55 |
| AlogP: | -1.68 | Num_rotatable_bonds: | 22 |
| MolWt: | 787.91 | Num_heavy_atoms: | 56 |
| TPSA: | 297.83 | NumAromaticRings: | 3 |
Unique Aglycone
AD07330
Formula: C32H47O5N7
Smiles:
CCn1c2ccccc2c2cc(NC(=O)C(CCCCN)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(N)C(C)O)ccc21| HBA: | 12 | RingCount: | 3 |
| HBD: | 9 | FractionCSP3: | 0.5 |
| AlogP: | 1.72 | Num_rotatable_bonds: | 16 |
| MolWt: | 609.77 | Num_heavy_atoms: | 44 |
| TPSA: | 193.6 | NumAromaticRings: | 3 |
