Glycoside
GD038151
Name:
methyl 7-chloro-6,7,8-trideoxy-6-{[(4s,5as,8s,8ar)-4-(2-methylpropyl)octahydro-2h-oxepino[2,3-c]pyrrole-8-carbonyl]amino}-1-thio-l-threo-alpha-d-galacto-octopyranosideFormula:
C23H39O6N2ClSSmiles:
CS[C@H]1O[C@H]([C@H](NC(=O)[C@H]2NC[C@H]3C[C@@H](CC(C)C)CCO[C@H]23)[C@@H](C)Cl)[C@@H](O)[C@@H](O)[C@H]1OAglycone:
CC(C)CC1CCOC2C(CNC2C(=O)NCC(C)Cl)C1Sugarmoiety:
CSC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.95 |
| AlogP: | 0.7 | Num_rotatable_bonds: | 7 |
| MolWt: | 495.08 | Num_heavy_atoms: | 32 |
| TPSA: | 120.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD23874
Formula: C17H29O2N2Cl
Smiles:
CC(C)CC1CCOC2C(CNC2C(=O)NCC(C)Cl)C1| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.94 |
| AlogP: | 2.16 | Num_rotatable_bonds: | 5 |
| MolWt: | 316.87 | Num_heavy_atoms: | 21 |
| TPSA: | 50.36 | NumAromaticRings: | 0 |
