Glycoside
GD006637
Name:
NoneFormula:
C50H78O9N4Smiles:
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](CCN2CC(C)CC(C)C2)C[C@H](C)C(=NOCCCc2ccc3ncccc3c2)C=CC(C)=CC1COAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NOCCCc2ccc3ncccc3c2)C=CC(C)=CC1COSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.7 |
| AlogP: | 6.17 | Num_rotatable_bonds: | 13 |
| MolWt: | 879.19 | Num_heavy_atoms: | 63 |
| TPSA: | 166.64 | NumAromaticRings: | 2 |
Unique Aglycone
AD05475
Formula: C42H63O6N3
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NOCCCc2ccc3ncccc3c2)C=CC(C)=CC1CO| HBA: | 9 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.64 |
| AlogP: | 6.74 | Num_rotatable_bonds: | 10 |
| MolWt: | 705.98 | Num_heavy_atoms: | 51 |
| TPSA: | 124.71 | NumAromaticRings: | 2 |
