Glycoside
GD006323
Name:
NoneFormula:
C31H29O10N2ClSmiles:
CO[C@@H]1[C@H](O)[C@H](OC(=O)c2ccc(C)[nH]2)[C@H](Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2Cl)OC1(C)CAglycone:
Cc1ccc(C(=O)O)[nH]1.O=C(Nc1c(O)c2ccc(O)c(Cl)c2oc1=O)c1ccccc1Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)COther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.3 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 7 |
| MolWt: | 613.02 | Num_heavy_atoms: | 43 |
| TPSA: | 169.55 | NumAromaticRings: | 4 |
Unique Aglycone
AD00152
Formula: C6H7O2N
Smiles:
Cc1ccc(C(=O)O)[nH]1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.17 |
| AlogP: | 1.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 125.13 | Num_heavy_atoms: | 9 |
| TPSA: | 53.09 | NumAromaticRings: | 1 |
AD05250
Formula: C17H10O5NCl
Smiles:
O=C(Nc1c(O)c2ccc(O)c(Cl)c2oc1=O)c1ccccc1| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.0 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 2 |
| MolWt: | 331.71 | Num_heavy_atoms: | 23 |
| TPSA: | 99.77 | NumAromaticRings: | 3 |
