Glycoside
GD140349
Name:
NoneFormula:
C48H68O15N7S4Smiles:
CC(C)OC1C(OC2OC=C3C(=O)OC4CCC(CO)C4CSSC4C(CO)N5C=C(C(=O)O)C(NC(=N)NCCCO)=C(C=C6C#CC4(CC4CCNC(=[NH2+])N4)SSCC=CC2C63)C5)OC(CO)C(O)C1(O)OAglycone:
N=C(NCCCO)NC1=C2C=C3C#CC4(CC5CCNC(=[NH2+])N5)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: | 8 |
| HBD: | 15 | FractionCSP3: | 0.67 |
| AlogP: | -1.79 | Num_rotatable_bonds: | 14 |
| MolWt: | 1111.37 | Num_heavy_atoms: | 74 |
| TPSA: | 342.93 | NumAromaticRings: | 0 |
Unique Aglycone
AD56593
Formula: C39H52O9N7S4
Smiles:
N=C(NCCCO)NC1=C2C=C3C#CC4(CC5CCNC(=[NH2+])N5)SSCC=CC5C(O)OC=C(C(=O)OC6CCC(CO)C6CSSC4C(CO)N(C=C1C(=O)O)C2)C35| HBA: | 16 | RingCount: | 7 |
| HBD: | 12 | FractionCSP3: | 0.59 |
| AlogP: | -0.37 | Num_rotatable_bonds: | 9 |
| MolWt: | 891.15 | Num_heavy_atoms: | 59 |
| TPSA: | 254.55 | NumAromaticRings: | 0 |
