Glycoside
GD018718
Name:
NoneFormula:
C39H68O18N4S3Smiles:
CC1OC(SCCC(=O)NCCCCC(NC(=O)[C@H](CCCCNC(=O)CCSC2OC(C)C(O)C(O)C2O)NC(=O)CCSC2OC(C)C(O)C(O)C2O)C(=O)O)C(O)C(O)C1OAglycone:
O=C(CCS)NCCCCC(NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCS)C(=O)OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1O.CC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 3 |
| HBD: | 14 | FractionCSP3: | 0.87 |
| AlogP: | -3.53 | Num_rotatable_bonds: | 26 |
| MolWt: | 977.18 | Num_heavy_atoms: | 64 |
| TPSA: | 363.46 | NumAromaticRings: | 0 |
Unique Aglycone
AD07494
Formula: C21H38O6N4S3
Smiles:
O=C(CCS)NCCCCC(NC(=O)C(CCCCNC(=O)CCS)NC(=O)CCS)C(=O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.76 |
| AlogP: | 0.57 | Num_rotatable_bonds: | 20 |
| MolWt: | 538.76 | Num_heavy_atoms: | 34 |
| TPSA: | 153.7 | NumAromaticRings: | 0 |
