Glycoside
GD017375
Name:
NoneFormula:
C59H94O13N4Smiles:
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(=NOCCCOc2ccc3ncccc3c2)C=CC(C)=CC1CO[C@@H]1C[C@H](C)[C@H](O)[C@H](OC)[C@H]1OCAglycone:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NOCCCOc2ccc3ncccc3c2)C=CC(C)=CC1COC1CC(C)C(O)C(OC)C1OCSugarmoiety:
CC1OC(O)C(O)C(N(C)C)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.75 |
| AlogP: | 6.83 | Num_rotatable_bonds: | 18 |
| MolWt: | 1067.42 | Num_heavy_atoms: | 76 |
| TPSA: | 203.56 | NumAromaticRings: | 2 |
Unique Aglycone
AD12402
Formula: C51H79O10N3
Smiles:
CCC1OC(=O)CC(O)C(C)C(O)C(CCN2CC(C)CC(C)C2)CC(C)C(=NOCCCOc2ccc3ncccc3c2)C=CC(C)=CC1COC1CC(C)C(O)C(OC)C1OC| HBA: | 13 | RingCount: | 5 |
| HBD: | 3 | FractionCSP3: | 0.71 |
| AlogP: | 7.4 | Num_rotatable_bonds: | 15 |
| MolWt: | 894.2 | Num_heavy_atoms: | 64 |
| TPSA: | 161.63 | NumAromaticRings: | 2 |
