Glycoside
GD021170
Name:
NoneFormula:
C46H76O19N10Smiles:
CC[C@H](C)[C@H](NC(=O)[C@H](CCCNC(=N)N)NC(=O)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](NC(=O)[C@H](N)CC(N)=O)[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(C)C)C(=O)OAglycone:
CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(N)CC(N)=O)C(C)O)C(C)C)C(=O)OSugarmoiety:
OCC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 29 | RingCount: | 3 |
| HBD: | 21 | FractionCSP3: | 0.7 |
| AlogP: | -7.07 | Num_rotatable_bonds: | 29 |
| MolWt: | 1073.17 | Num_heavy_atoms: | 75 |
| TPSA: | 492.34 | NumAromaticRings: | 1 |
Unique Aglycone
AD14510
Formula: C34H56O9N10
Smiles:
CCC(C)C(NC(=O)C(CCCNC(=N)N)NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(NC(=O)C(N)CC(N)=O)C(C)O)C(C)C)C(=O)O| HBA: | 19 | RingCount: | 1 |
| HBD: | 15 | FractionCSP3: | 0.59 |
| AlogP: | -2.71 | Num_rotatable_bonds: | 23 |
| MolWt: | 748.88 | Num_heavy_atoms: | 53 |
| TPSA: | 334.04 | NumAromaticRings: | 1 |
