Glycoside
GD113673
Name:
NoneFormula:
C38H47O7N2PSmiles:
CN(C)P(=O)(O[C@H]1O[C@H](COCc2ccccc2)[C@@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1)N(C)CAglycone:
CN(C)P(=O)(O)N(C)C.COCc1ccccc1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.37 |
| AlogP: | 6.93 | Num_rotatable_bonds: | 17 |
| MolWt: | 674.78 | Num_heavy_atoms: | 48 |
| TPSA: | 78.93 | NumAromaticRings: | 4 |
Unique Aglycone
AD00042
Formula: C8H10O
Smiles:
COCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.25 |
| AlogP: | 1.83 | Num_rotatable_bonds: | 2 |
| MolWt: | 122.17 | Num_heavy_atoms: | 9 |
| TPSA: | 9.23 | NumAromaticRings: | 1 |
AD00044
Formula: C7H8O
Smiles:
OCc1ccccc1| HBA: | 1 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.14 |
| AlogP: | 1.18 | Num_rotatable_bonds: | 1 |
| MolWt: | 108.14 | Num_heavy_atoms: | 8 |
| TPSA: | 20.23 | NumAromaticRings: | 1 |
AD44825
Formula: C4H13O2N2P
Smiles:
CN(C)P(=O)(O)N(C)C| HBA: | 4 | RingCount: | 0 |
| HBD: | 1 | FractionCSP3: | 1.0 |
| AlogP: | 0.21 | Num_rotatable_bonds: | 2 |
| MolWt: | 152.13 | Num_heavy_atoms: | 9 |
| TPSA: | 43.78 | NumAromaticRings: | 0 |
