Glycoside
GD001910
Name:
AYRR(Lac-)TIFormula:
C46H78O19N12Smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](C)N)[C@H](C)O[C@@H]1O[C@H](CO)[C@H](O[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)[C@H](O)[C@H]1O)C(=O)OAglycone:
CCC(C)C(NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)N)C(C)O)C(=O)OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 31 | RingCount: | 3 |
| HBD: | 24 | FractionCSP3: | 0.7 |
| AlogP: | -7.61 | Num_rotatable_bonds: | 30 |
| MolWt: | 1103.2 | Num_heavy_atoms: | 77 |
| TPSA: | 531.38 | NumAromaticRings: | 1 |
Unique Aglycone
AD01860
Formula: C34H58O9N12
Smiles:
CCC(C)C(NC(=O)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(Cc1ccc(O)cc1)NC(=O)C(C)N)C(C)O)C(=O)O| HBA: | 21 | RingCount: | 1 |
| HBD: | 18 | FractionCSP3: | 0.59 |
| AlogP: | -3.26 | Num_rotatable_bonds: | 24 |
| MolWt: | 778.91 | Num_heavy_atoms: | 55 |
| TPSA: | 373.08 | NumAromaticRings: | 1 |
