Glycoside
GD036150
Name:
NoneFormula:
C33H40O7N4Cl2SSmiles:
O=C(CCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl)NC[C@H](O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
CNC(=O)CCc1cc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1ClSugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 1.37 | Num_rotatable_bonds: | 13 |
| MolWt: | 683.66 | Num_heavy_atoms: | 45 |
| TPSA: | 157.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD22828
Formula: C28H30O2N4Cl2S
Smiles:
CNC(=O)CCc1cc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.46 |
| AlogP: | 4.56 | Num_rotatable_bonds: | 7 |
| MolWt: | 533.53 | Num_heavy_atoms: | 35 |
| TPSA: | 55.89 | NumAromaticRings: | 2 |
