Glycoside
GD036730
Name:
NoneFormula:
C35H42O8N4Cl2SSmiles:
O=C(CCCCc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl)N[C@H](C(=O)O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
NC(=O)CCCCc1cc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1ClSugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 12 | RingCount: | 5 |
| HBD: | 6 | FractionCSP3: | 0.55 |
| AlogP: | 2.24 | Num_rotatable_bonds: | 15 |
| MolWt: | 725.69 | Num_heavy_atoms: | 48 |
| TPSA: | 174.11 | NumAromaticRings: | 2 |
Unique Aglycone
AD23171
Formula: C29H32O2N4Cl2S
Smiles:
NC(=O)CCCCc1cc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.48 |
| AlogP: | 5.08 | Num_rotatable_bonds: | 9 |
| MolWt: | 547.55 | Num_heavy_atoms: | 36 |
| TPSA: | 69.88 | NumAromaticRings: | 2 |
