Glycoside
GD006435
Name:
NoneFormula:
C40H60O11N2Smiles:
CC(C=CC=CCCCNC(=O)C(CC(C)C)O[C@@H]1O[C@H](CO)[C@H](O)[C@H](O)[C@H]1O)=CC=CC=C(C)C(O)CC(=O)NC(C)=CC=CC=CC(C)C(=O)OAglycone:
CC(C=CC=CCCCNC(=O)C(O)CC(C)C)=CC=CC=C(C)C(O)CC(=O)NC(C)=CC=CC=CC(C)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 1 |
| HBD: | 8 | FractionCSP3: | 0.53 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 22 |
| MolWt: | 744.92 | Num_heavy_atoms: | 53 |
| TPSA: | 215.11 | NumAromaticRings: | 0 |
Unique Aglycone
AD05330
Formula: C34H50O6N2
Smiles:
CC(C=CC=CCCCNC(=O)C(O)CC(C)C)=CC=CC=C(C)C(O)CC(=O)NC(C)=CC=CC=CC(C)C(=O)O| HBA: | 8 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.44 |
| AlogP: | 5.46 | Num_rotatable_bonds: | 19 |
| MolWt: | 582.78 | Num_heavy_atoms: | 42 |
| TPSA: | 135.96 | NumAromaticRings: | 0 |
