Glycoside
GD000998
Name:
NoneFormula:
C39H59O10N9Smiles:
CCn1c2ccccc2c2cc(NC(=O)[C@H](CCCN=C(N)N)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(C)C)ccc21Aglycone:
CCn1c2ccccc2c2cc(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(N)C(C)C)ccc21Sugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 19 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.54 |
| AlogP: | -1.48 | Num_rotatable_bonds: | 22 |
| MolWt: | 813.95 | Num_heavy_atoms: | 58 |
| TPSA: | 315.98 | NumAromaticRings: | 3 |
Unique Aglycone
AD01038
Formula: C33H49O4N9
Smiles:
CCn1c2ccccc2c2cc(NC(=O)C(CCCN=C(N)N)NC(=O)CNC(=O)C(CC(C)C)NC(=O)C(N)C(C)C)ccc21| HBA: | 13 | RingCount: | 3 |
| HBD: | 10 | FractionCSP3: | 0.48 |
| AlogP: | 1.92 | Num_rotatable_bonds: | 16 |
| MolWt: | 635.81 | Num_heavy_atoms: | 46 |
| TPSA: | 211.75 | NumAromaticRings: | 3 |
