Glycoside
GD012654
Name:
NoneFormula:
C36H62O21N4S3Smiles:
O=C(CSC1OC(CO)C(O)C(O)C1O)NCCCCC(NC(=O)[C@H](CCCCNC(=O)CSC1OC(CO)C(O)C(O)C1O)NC(=O)CSC1OC(CO)C(O)C(O)C1O)C(=O)OAglycone:
O=C(CS)NCCCCC(NC(=O)C(CCCCNC(=O)CS)NC(=O)CS)C(=O)OSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 3 |
| HBD: | 17 | FractionCSP3: | 0.86 |
| AlogP: | -7.79 | Num_rotatable_bonds: | 26 |
| MolWt: | 983.1 | Num_heavy_atoms: | 64 |
| TPSA: | 424.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD09522
Formula: C18H32O6N4S3
Smiles:
O=C(CS)NCCCCC(NC(=O)C(CCCCNC(=O)CS)NC(=O)CS)C(=O)O| HBA: | 10 | RingCount: | 0 |
| HBD: | 5 | FractionCSP3: | 0.72 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 17 |
| MolWt: | 496.68 | Num_heavy_atoms: | 31 |
| TPSA: | 153.7 | NumAromaticRings: | 0 |
