Glycoside
GD134687
Name:
NoneFormula:
C39H59O15N4S2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(C)C)OC=C2C(=O)OC3CCC(CO)C3CSSCC(CO)N3C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC21)C3Aglycone:
C=CC1C(O)OC=C2C(=O)OC3CCC(CO)C3CSSCC(CO)N3C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC21)C3Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.67 |
| AlogP: | -2.33 | Num_rotatable_bonds: | 13 |
| MolWt: | 888.05 | Num_heavy_atoms: | 60 |
| TPSA: | 295.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD54478
Formula: C30H43O9N4S2
Smiles:
C=CC1C(O)OC=C2C(=O)OC3CCC(CO)C3CSSCC(CO)N3C=C(C(=O)O)C(NC(=[NH2+])NCCCO)=C(C=CC21)C3| HBA: | 13 | RingCount: | 4 |
| HBD: | 9 | FractionCSP3: | 0.57 |
| AlogP: | -0.91 | Num_rotatable_bonds: | 8 |
| MolWt: | 667.83 | Num_heavy_atoms: | 45 |
| TPSA: | 206.64 | NumAromaticRings: | 0 |
