Glycoside
GD022698
Name:
NoneFormula:
C38H43O10N3Smiles:
CC(=O)OC[C@@H]1O[C@H](ON=C(C)CCN2CCc3nc(-c4ccccc4)c(-c4ccccc4)cc3C2)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]1OC(C)=OAglycone:
CC(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=NO.COC(C)=OSugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.42 |
| AlogP: | 4.64 | Num_rotatable_bonds: | 12 |
| MolWt: | 701.77 | Num_heavy_atoms: | 51 |
| TPSA: | 152.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD00017
Formula: C3H6O2
Smiles:
COC(C)=O| HBA: | 2 | RingCount: | 0 |
| HBD: | 0 | FractionCSP3: | 0.67 |
| AlogP: | 0.18 | Num_rotatable_bonds: | 0 |
| MolWt: | 74.08 | Num_heavy_atoms: | 5 |
| TPSA: | 26.3 | NumAromaticRings: | 0 |
AD15357
Formula: C24H25ON3
Smiles:
CC(CCN1CCc2nc(-c3ccccc3)c(-c3ccccc3)cc2C1)=NO| HBA: | 4 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.25 |
| AlogP: | 5.01 | Num_rotatable_bonds: | 5 |
| MolWt: | 371.48 | Num_heavy_atoms: | 28 |
| TPSA: | 48.72 | NumAromaticRings: | 3 |
