Glycoside
GD111289
Name:
NoneFormula:
C32H33O11N3Smiles:
CC(=O)OC[C@H]1O[C@@H](OC(=O)CCCn2c3ccccc3c3nc4ccccc4nc32)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=OAglycone:
COC(C)=O.O=C(O)CCCn1c2ccccc2c2nc3ccccc3nc21Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.41 |
| AlogP: | 3.14 | Num_rotatable_bonds: | 10 |
| MolWt: | 635.63 | Num_heavy_atoms: | 46 |
| TPSA: | 171.44 | NumAromaticRings: | 4 |
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 |
AD44704
Formula: C18H15O2N3
Smiles:
O=C(O)CCCn1c2ccccc2c2nc3ccccc3nc21| HBA: | 5 | RingCount: | 4 |
| HBD: | 1 | FractionCSP3: | 0.17 |
| AlogP: | 3.6 | Num_rotatable_bonds: | 4 |
| MolWt: | 305.34 | Num_heavy_atoms: | 23 |
| TPSA: | 68.01 | NumAromaticRings: | 4 |
