Glycoside
GD020825
Name:
NoneFormula:
C40H56O12N6S2Smiles:
Cc1cc(O)cc(C)c1C[C@H](N)C(=O)N[C@@H]1CSCCSC(C)(C)[C@H](C(=O)N[C@H](CO[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)C(N)=O)NC(=O)C2(Cc3ccccc3C2)NC1=OAglycone:
Cc1cc(O)cc(C)c1CC(N)C(=O)NC1CSCCSC(C)(C)C(C(=O)NC(CO)C(N)=O)NC(=O)C2(Cc3ccccc3C2)NC1=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.57 |
| AlogP: | -2.45 | Num_rotatable_bonds: | 11 |
| MolWt: | 877.05 | Num_heavy_atoms: | 60 |
| TPSA: | 305.12 | NumAromaticRings: | 2 |
Unique Aglycone
AD14318
Formula: C34H46O7N6S2
Smiles:
Cc1cc(O)cc(C)c1CC(N)C(=O)NC1CSCCSC(C)(C)C(C(=O)NC(CO)C(N)=O)NC(=O)C2(Cc3ccccc3C2)NC1=O| HBA: | 13 | RingCount: | 4 |
| HBD: | 10 | FractionCSP3: | 0.5 |
| AlogP: | -0.28 | Num_rotatable_bonds: | 8 |
| MolWt: | 714.91 | Num_heavy_atoms: | 49 |
| TPSA: | 225.97 | NumAromaticRings: | 2 |
