Glycoside
GD001089
Name:
NoneFormula:
C44H48O8N2Smiles:
Cc1ccc(C=CCO[C@H](C(=O)N[C@@H]2c3ccccc3C[C@H]2O)[C@@H](O)[C@@H](O)[C@H](OCC=Cc2ccc(C)cc2)C(=O)N[C@@H]2c3ccccc3C[C@H]2O)cc1Aglycone:
CC=Cc1ccc(C)cc1.CC=Cc1ccc(C)cc1.NC1c2ccccc2CC1O.NC1c2ccccc2CC1OSugarmoiety:
O=C(O)C(OO)C(O)C(O)C(OO)C(=O)OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.32 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 15 |
| MolWt: | 732.87 | Num_heavy_atoms: | 54 |
| TPSA: | 157.58 | NumAromaticRings: | 4 |
Unique Aglycone
AD00740
Formula: C9H11ON
Smiles:
NC1c2ccccc2CC1O| HBA: | 2 | RingCount: | 2 |
| HBD: | 3 | FractionCSP3: | 0.33 |
| AlogP: | 0.6 | Num_rotatable_bonds: | 0 |
| MolWt: | 149.19 | Num_heavy_atoms: | 11 |
| TPSA: | 46.25 | NumAromaticRings: | 1 |
AD01136
Formula: C10H12
Smiles:
CC=Cc1ccc(C)cc1| HBA: | 0 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.2 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 132.21 | Num_heavy_atoms: | 10 |
| TPSA: | 0.0 | NumAromaticRings: | 1 |
