Glycoside
GD006419
Name:
NoneFormula:
C44H65O11N3Smiles:
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(=NOCCCCOc2ccc3ncccc3c2)C=CC(C)=CC1COAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=NOCCCCOc2ccc3ncccc3c2)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.64 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 14 |
| MolWt: | 812.01 | Num_heavy_atoms: | 58 |
| TPSA: | 189.7 | NumAromaticRings: | 2 |
Unique Aglycone
AD05319
Formula: C36H50O8N2
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CC=O)CC(C)C(=NOCCCCOc2ccc3ncccc3c2)C=CC(C)=CC1CO| HBA: | 10 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.56 |
| AlogP: | 5.19 | Num_rotatable_bonds: | 11 |
| MolWt: | 638.8 | Num_heavy_atoms: | 46 |
| TPSA: | 147.77 | NumAromaticRings: | 2 |
