Glycoside
GD156308
Name:
NoneFormula:
C41H61O15N4S4Smiles:
CC(C)OC1C(OC2OC=C3C(=O)OC4CCC(CO)C4CSSC4CSSCC=CC2C3C=CC2=C(NC(=[NH2+])NCCCO)C(C(=O)O)=CN(C2)C4CO)OC(CO)C(O)C1(O)OAglycone:
[NH2+]=C(NCCCO)NC1=C2C=CC3C4=COC(O)C3C=CCSSCC(SSCC3C(CO)CCC3OC4=O)C(CO)N(C=C1C(=O)O)C2Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 6 |
| HBD: | 12 | FractionCSP3: | 0.68 |
| AlogP: | -1.19 | Num_rotatable_bonds: | 12 |
| MolWt: | 978.22 | Num_heavy_atoms: | 64 |
| TPSA: | 295.02 | NumAromaticRings: | 0 |
Unique Aglycone
AD56128
Formula: C32H45O9N4S4
Smiles:
[NH2+]=C(NCCCO)NC1=C2C=CC3C4=COC(O)C3C=CCSSCC(SSCC3C(CO)CCC3OC4=O)C(CO)N(C=C1C(=O)O)C2| HBA: | 13 | RingCount: | 5 |
| HBD: | 9 | FractionCSP3: | 0.59 |
| AlogP: | 0.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 758.0 | Num_heavy_atoms: | 49 |
| TPSA: | 206.64 | NumAromaticRings: | 0 |
