Glycoside
GD002377
Name:
NoneFormula:
C30H33O10N3Smiles:
CC(=O)OCC1OC(Nc2ccc3nc(C)n(-c4cccc(C)c4)c(=O)c3c2)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.Cc1cccc(-n2c(C)nc3ccc(N)cc3c2=O)c1Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.4 |
| AlogP: | 2.5 | Num_rotatable_bonds: | 8 |
| MolWt: | 595.61 | Num_heavy_atoms: | 43 |
| TPSA: | 161.35 | 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 |
AD02273
Formula: C16H15ON3
Smiles:
Cc1cccc(-n2c(C)nc3ccc(N)cc3c2=O)c1| HBA: | 4 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 2.58 | Num_rotatable_bonds: | 1 |
| MolWt: | 265.32 | Num_heavy_atoms: | 20 |
| TPSA: | 60.91 | NumAromaticRings: | 3 |
