Glycoside
GD033673
Name:
NoneFormula:
C39H55O9N3Smiles:
CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)CC(CC=Cc1ccccc1)C(=O)N[C@H](C(=O)NC[C@@H]1OC(O)[C@H](O)[C@H]1O)C1CCCCC1Aglycone:
CNC(=O)C(NC(=O)C(CC=Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C1CCCCC1Sugarmoiety:
OC1OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.56 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 15 |
| MolWt: | 709.88 | Num_heavy_atoms: | 51 |
| TPSA: | 186.68 | NumAromaticRings: | 2 |
Unique Aglycone
AD21475
Formula: C35H49O5N3
Smiles:
CNC(=O)C(NC(=O)C(CC=Cc1ccccc1)CC(O)C(Cc1ccccc1)NC(=O)OC(C)(C)C)C1CCCCC1| HBA: | 8 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.51 |
| AlogP: | 5.4 | Num_rotatable_bonds: | 13 |
| MolWt: | 591.79 | Num_heavy_atoms: | 43 |
| TPSA: | 116.76 | NumAromaticRings: | 2 |
