Glycoside
GD037054
Name:
NoneFormula:
C34H56O15N8SSmiles:
NC[C@@H]1O[C@H](O[C@@H]2[C@H](N)C[C@H](N)[C@H](O[C@@H]3O[C@H](CNC(=O)CCC(=O)N[C@H](Cc4ccc(O)cc4)C(=O)N[C@H](CS)C(N)=O)[C@H](O)[C@H](N)[C@H]3O)[C@H]2O)[C@H](O)[C@H](O)[C@H]1OAglycone:
CNC(=O)CCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CS)C(N)=O.NC1CC(N)C(O)C(O)C1OSugarmoiety:
NC1C(O)C(O)OC(O)C1O.NCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 23 | RingCount: | 4 |
| HBD: | 20 | FractionCSP3: | 0.71 |
| AlogP: | -8.05 | Num_rotatable_bonds: | 17 |
| MolWt: | 848.93 | Num_heavy_atoms: | 58 |
| TPSA: | 413.0 | NumAromaticRings: | 1 |
Unique Aglycone
AD00009
Formula: C6H14O3N2
Smiles:
NC1CC(N)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 1.0 |
| AlogP: | -2.87 | Num_rotatable_bonds: | 0 |
| MolWt: | 162.19 | Num_heavy_atoms: | 11 |
| TPSA: | 112.73 | NumAromaticRings: | 0 |
AD23367
Formula: C17H24O5N4S
Smiles:
CNC(=O)CCC(=O)NC(Cc1ccc(O)cc1)C(=O)NC(CS)C(N)=O| HBA: | 9 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.41 |
| AlogP: | -1.15 | Num_rotatable_bonds: | 10 |
| MolWt: | 396.47 | Num_heavy_atoms: | 27 |
| TPSA: | 150.62 | NumAromaticRings: | 1 |
