Glycoside
GD025813
Name:
NoneFormula:
C35H44O7N4Cl2SSmiles:
O=C(CCCCc1cc(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)CCCCc1cc(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: | 0.58 |
| AlogP: | 2.15 | Num_rotatable_bonds: | 15 |
| MolWt: | 711.71 | Num_heavy_atoms: | 47 |
| TPSA: | 157.04 | NumAromaticRings: | 2 |
Unique Aglycone
AD17081
Formula: C30H34O2N4Cl2S
Smiles:
CNC(=O)CCCCc1cc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl| HBA: | 6 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.5 |
| AlogP: | 5.34 | Num_rotatable_bonds: | 9 |
| MolWt: | 561.58 | Num_heavy_atoms: | 37 |
| TPSA: | 55.89 | NumAromaticRings: | 2 |
