Glycoside
GD134643
Name:
NoneFormula:
C46H66O15N7S4Smiles:
CC(C)OC1C(OC2OC=C3C(=O)OC4CCC(CO)C4CSSC4C(CO)N5C=C(C(=O)O)C(NC(=N)NCCCO)=C(C=C6C#CC4(CCNC(N)=[NH2+])SSCC=CC2C63)C5)OC(CO)C(O)C1(O)OAglycone:
N=C(NCCCO)NC1=C2C=C3C#CC4(CCNC(N)=[NH2+])SSCC=CC5C(O)OC=C(C(=O)OC6CCC(CO)C6CSSC4C(CO)N(C=C1C(=O)O)C2)C35Sugarmoiety:
CC(C)OC1C(O)OC(CO)C(O)C1(O)OOther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 16 | FractionCSP3: | 0.65 |
| AlogP: | -2.2 | Num_rotatable_bonds: | 15 |
| MolWt: | 1085.34 | Num_heavy_atoms: | 72 |
| TPSA: | 356.92 | NumAromaticRings: | 0 |
Unique Aglycone
AD54462
Formula: C37H50O9N7S4
Smiles:
N=C(NCCCO)NC1=C2C=C3C#CC4(CCNC(N)=[NH2+])SSCC=CC5C(O)OC=C(C(=O)OC6CCC(CO)C6CSSC4C(CO)N(C=C1C(=O)O)C2)C35| HBA: | 16 | RingCount: | 6 |
| HBD: | 13 | FractionCSP3: | 0.57 |
| AlogP: | -0.77 | Num_rotatable_bonds: | 10 |
| MolWt: | 865.11 | Num_heavy_atoms: | 57 |
| TPSA: | 268.54 | NumAromaticRings: | 0 |
