Glycoside
GD011295
Name:
NoneFormula:
C45H85O10N3Smiles:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)N[C@H](CO[C@@H]1OC(C)[C@H](O)[C@H](O)C1O)C(=O)N[C@H](CCC(=O)O)C(=O)NCAglycone:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NCSugarmoiety:
CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 7 | FractionCSP3: | 0.91 |
| AlogP: | 7.21 | Num_rotatable_bonds: | 37 |
| MolWt: | 828.19 | Num_heavy_atoms: | 58 |
| TPSA: | 203.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD00642
Formula: C39H75O6N3
Smiles:
CCCCCCCCCCCCCCC(CCCCCCCCCCCCCC)C(=O)NC(CO)C(=O)NC(CCC(=O)O)C(=O)NC| HBA: | 9 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.9 |
| AlogP: | 8.36 | Num_rotatable_bonds: | 35 |
| MolWt: | 682.04 | Num_heavy_atoms: | 48 |
| TPSA: | 144.83 | NumAromaticRings: | 0 |
