Glycoside
GD001975
Name:
NoneFormula:
C43H59O10N3Smiles:
CC[C@@H]1OC(=O)C[C@H](O)[C@H](C)[C@H](O[C@@H]2O[C@H](C)[C@H](O)[C@H](N(C)C)[C@H]2O)[C@H](CC=O)C[C@H](C)C(=NOCC#Cc2cnc3ccccc3c2)C=CC(C)=CC1COAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=NOCC#Cc2cnc3ccccc3c2)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.58 |
| AlogP: | 3.81 | Num_rotatable_bonds: | 9 |
| MolWt: | 777.96 | Num_heavy_atoms: | 56 |
| TPSA: | 180.47 | NumAromaticRings: | 2 |
Unique Aglycone
AD01922
Formula: C35H44O7N2
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=NOCC#Cc2cnc3ccccc3c2)C=CC(C)=CC1CO| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.49 |
| AlogP: | 4.38 | Num_rotatable_bonds: | 6 |
| MolWt: | 604.74 | Num_heavy_atoms: | 44 |
| TPSA: | 138.54 | NumAromaticRings: | 2 |
