Glycoside
GD012264
Name:
NoneFormula:
C37H67O17N7S3Smiles:
CC(=O)C(CCCCN=C(N)CSC1OC(CO)C(O)C(O)C1O)NC(=O)[C@H](CCCCN=C(N)CSC1OC(CO)C(O)C(O)C1O)N=C(N)CSC1OC(CO)C(O)C(O)C1OAglycone:
CC(=O)C(CCCCN=C(N)CS)NC(=O)C(CCCCN=C(N)CS)N=C(N)CSSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 3 |
| HBD: | 19 | FractionCSP3: | 0.86 |
| AlogP: | -6.56 | Num_rotatable_bonds: | 26 |
| MolWt: | 978.18 | Num_heavy_atoms: | 64 |
| TPSA: | 431.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD09261
Formula: C19H37O2N7S3
Smiles:
CC(=O)C(CCCCN=C(N)CS)NC(=O)C(CCCCN=C(N)CS)N=C(N)CS| HBA: | 9 | RingCount: | 0 |
| HBD: | 7 | FractionCSP3: | 0.74 |
| AlogP: | 0.63 | Num_rotatable_bonds: | 17 |
| MolWt: | 491.75 | Num_heavy_atoms: | 31 |
| TPSA: | 161.31 | NumAromaticRings: | 0 |
