Glycoside
GD030947
Name:
NoneFormula:
C23H25O11NSmiles:
CC(=O)OCC1OC(N2C(=O)C(=O)c3cc(C)ccc32)C(OC(C)=O)C(OC(C)=O)C1OC(C)=OAglycone:
COC(C)=O.Cc1ccc2c(c1)C(=O)C(=O)N2Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 3 |
| HBD: | 0 | FractionCSP3: | 0.48 |
| AlogP: | 0.61 | Num_rotatable_bonds: | 6 |
| MolWt: | 491.45 | Num_heavy_atoms: | 35 |
| TPSA: | 151.81 | NumAromaticRings: | 1 |
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 |
AD19996
Formula: C9H7O2N
Smiles:
Cc1ccc2c(c1)C(=O)C(=O)N2| HBA: | 3 | RingCount: | 2 |
| HBD: | 1 | FractionCSP3: | 0.11 |
| AlogP: | 1.13 | Num_rotatable_bonds: | 0 |
| MolWt: | 161.16 | Num_heavy_atoms: | 12 |
| TPSA: | 46.17 | NumAromaticRings: | 1 |
