Glycoside
GD127315
Name:
NoneFormula:
C42H59O15N4S2Smiles:
C=CC1C(OC2OC(CO)C(O)C(O)(O)C2OC(C)C)OC=C2C(=O)OC3CCC(CO)C3CSSC3CC#CC(=CC4=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C4)C3CO)C21Aglycone:
C=CC1C(O)OC=C2C(=O)OC3CCC(CO)C3CSSC3CC#CC(=CC4=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C4)C3CO)C21Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.64 |
| AlogP: | -2.18 | Num_rotatable_bonds: | 13 |
| MolWt: | 924.08 | Num_heavy_atoms: | 63 |
| TPSA: | 295.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD51553
Formula: C33H43O9N4S2
Smiles:
C=CC1C(O)OC=C2C(=O)OC3CCC(CO)C3CSSC3CC#CC(=CC4=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C4)C3CO)C21| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.55 |
| AlogP: | -0.76 | Num_rotatable_bonds: | 8 |
| MolWt: | 703.86 | Num_heavy_atoms: | 48 |
| TPSA: | 206.64 | NumAromaticRings: | 0 |
