Glycoside
GD012660
Name:
NoneFormula:
C50H71O17N13S2Smiles:
NC(=O)CNC(=O)[C@H](CCCN=C(N)N)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CSSCCC(=O)N[C@H](Cc2ccc(O)cc2)C(=O)N[C@H](Cc2ccccc2)C(=O)N[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(=O)N[C@H](CC(N)=O)C(=O)N1Aglycone:
NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C1CSSCCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 5 |
| HBD: | 20 | FractionCSP3: | 0.54 |
| AlogP: | -6.79 | Num_rotatable_bonds: | 20 |
| MolWt: | 1190.33 | Num_heavy_atoms: | 82 |
| TPSA: | 494.2 | NumAromaticRings: | 2 |
Unique Aglycone
AD00415
Formula: C44H61O12N13S2
Smiles:
NC(=O)CNC(=O)C(CCCN=C(N)N)NC(=O)C1CCCN1C(=O)C1CSSCCC(=O)NC(Cc2ccc(O)cc2)C(=O)NC(Cc2ccccc2)C(=O)NC(CO)C(=O)NC(CC(N)=O)C(=O)N1| HBA: | 25 | RingCount: | 4 |
| HBD: | 17 | FractionCSP3: | 0.48 |
| AlogP: | -4.61 | Num_rotatable_bonds: | 17 |
| MolWt: | 1028.18 | Num_heavy_atoms: | 71 |
| TPSA: | 415.05 | NumAromaticRings: | 2 |
