Glycoside
GD026084
Name:
NoneFormula:
C52H88O18N12Smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@H](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(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC1CCCCC1)NC(=O)C(N)C(C)O)C(=O)OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 30 | RingCount: | 4 |
| HBD: | 23 | FractionCSP3: | 0.73 |
| AlogP: | -5.36 | Num_rotatable_bonds: | 32 |
| MolWt: | 1169.34 | Num_heavy_atoms: | 82 |
| TPSA: | 511.15 | NumAromaticRings: | 1 |
Unique Aglycone
AD17221
Formula: C40H68O8N12
Smiles:
CCC(C)C(NC(=O)C(Cc1ccccc1)NC(=O)C(CCCNC(=N)N)NC(=O)C(CCCNC(=N)N)NC(=O)C(CC1CCCCC1)NC(=O)C(N)C(C)O)C(=O)O| HBA: | 20 | RingCount: | 2 |
| HBD: | 17 | FractionCSP3: | 0.65 |
| AlogP: | -1.01 | Num_rotatable_bonds: | 26 |
| MolWt: | 845.06 | Num_heavy_atoms: | 60 |
| TPSA: | 352.85 | NumAromaticRings: | 1 |
