Glycoside
GD014554
Name:
NoneFormula:
C30H38O7N2Smiles:
C=CCO[C@H](C(=O)N[C@@H]1c2ccccc2C[C@H]1O)[C@@H](O)[C@@H](O)[C@@H](CN[C@@H]1c2ccccc2C[C@H]1O)OCC=CAglycone:
CNC1c2ccccc2CC1O.NC1c2ccccc2CC1OSugarmoiety:
C=CCOC(O)C(O)C(O)C(OCC=C)C(=O)OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.43 |
| AlogP: | 0.87 | Num_rotatable_bonds: | 14 |
| MolWt: | 538.64 | Num_heavy_atoms: | 39 |
| TPSA: | 140.51 | NumAromaticRings: | 2 |
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 |
AD04476
Formula: C10H13ON
Smiles:
CNC1c2ccccc2CC1O| HBA: | 2 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.4 |
| AlogP: | 0.86 | Num_rotatable_bonds: | 1 |
| MolWt: | 163.22 | Num_heavy_atoms: | 12 |
| TPSA: | 32.26 | NumAromaticRings: | 1 |
