Glycoside
GD026958
Name:
NoneFormula:
C47H67O15N7Cl2SSmiles:
O=C(NCCCN(CCCNC(=O)[C@H](O)[C@H](O)[C@H](O)[C@H](O)CO)C(=O)NCCCCOc1cc(Cl)c(CN2CSC[C@H]2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl)[C@H](O)[C@H](O)[C@H](O)[C@H](O)COAglycone:
NCCCN(CCCN)C(=O)NCCCCOc1cc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1ClSugarmoiety:
O=C(O)C(O)C(O)C(O)C(O)CO.O=C(O)C(O)C(O)C(O)C(O)COOther Identifiers
Properties
| HBA: | 22 | RingCount: | 5 |
| HBD: | 13 | FractionCSP3: | 0.64 |
| AlogP: | -2.06 | Num_rotatable_bonds: | 28 |
| MolWt: | 1049.04 | Num_heavy_atoms: | 70 |
| TPSA: | 328.86 | NumAromaticRings: | 2 |
Unique Aglycone
AD17746
Formula: C35H47O3N7Cl2S
Smiles:
NCCCN(CCCN)C(=O)NCCCCOc1cc(Cl)c(CN2CSCC2C(=O)N2CCN(C3CC3)c3ccccc32)cc1Cl| HBA: | 10 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.58 |
| AlogP: | 4.75 | Num_rotatable_bonds: | 16 |
| MolWt: | 692.76 | Num_heavy_atoms: | 46 |
| TPSA: | 120.4 | NumAromaticRings: | 2 |
