Glycoside
GD028297
Name:
NoneFormula:
C42H61O10N3Smiles:
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](C=O)C[C@H](C)C(=NOCCCc2ccc3ncccc3c2)C=CC(C)=CC1COAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(C=O)CC(C)C(=NOCCCc2ccc3ncccc3c2)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 4 | FractionCSP3: | 0.62 |
| AlogP: | 4.0 | Num_rotatable_bonds: | 11 |
| MolWt: | 767.96 | Num_heavy_atoms: | 55 |
| TPSA: | 180.47 | NumAromaticRings: | 2 |
Unique Aglycone
AD18508
Formula: C34H46O7N2
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(C=O)CC(C)C(=NOCCCc2ccc3ncccc3c2)C=CC(C)=CC1CO| HBA: | 9 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.53 |
| AlogP: | 4.58 | Num_rotatable_bonds: | 8 |
| MolWt: | 594.75 | Num_heavy_atoms: | 43 |
| TPSA: | 138.54 | NumAromaticRings: | 2 |
