Glycoside
GD001944
Name:
NoneFormula:
C35H45O8N5Cl2SSmiles:
O=C(NCCCCOc1cc(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)NCCCCOc1cc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1ClSugarmoiety:
OCC(O)C(O)C(O)C(O)OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.58 |
| AlogP: | 1.78 | Num_rotatable_bonds: | 16 |
| MolWt: | 742.72 | Num_heavy_atoms: | 49 |
| TPSA: | 178.3 | NumAromaticRings: | 2 |
Unique Aglycone
AD01893
Formula: C30H35O3N5Cl2S
Smiles:
CNC(=O)NCCCCOc1cc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl| HBA: | 8 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 4.97 | Num_rotatable_bonds: | 10 |
| MolWt: | 592.59 | Num_heavy_atoms: | 39 |
| TPSA: | 77.15 | NumAromaticRings: | 2 |
