Glycoside
GD137090
Name:
NoneFormula:
C41H62O14N5S2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OCNC)OC=C2C(=O)OC3CCC4(CCCC4)C3CSSCC(CO)N3C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC21)C3Aglycone:
C=CC1C(O)OC=C2C(=O)OC3CCC4(CCCC4)C3CSSCC(CO)N3C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC21)C3Sugarmoiety:
CNCOC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.68 |
| AlogP: | -1.61 | Num_rotatable_bonds: | 13 |
| MolWt: | 913.1 | Num_heavy_atoms: | 62 |
| TPSA: | 286.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD55400
Formula: C33H47O8N4S2
Smiles:
C=CC1C(O)OC=C2C(=O)OC3CCC4(CCCC4)C3CSSCC(CO)N3C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC21)C3| HBA: | 12 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.61 |
| AlogP: | 1.05 | Num_rotatable_bonds: | 7 |
| MolWt: | 691.89 | Num_heavy_atoms: | 47 |
| TPSA: | 186.41 | NumAromaticRings: | 0 |
