Glycoside
GD124007
Name:
Herbicolin AFormula:
C58H101O20N13Smiles:
CC=C(N=C(O)CC(CCCCCCCCCCC)OC1OC(CO)C(O)C(O)C1O)C(O)=NC1C(O)=NC(C(C)O)C(O)=NC(CC(C)C)C(O)=NCC(O)=NC(CCC(=N)O)C(O)=NCC(=O)N(C)C(C(C)O)C(O)=NC(CCCNC(=N)N)C(=O)OC1CAglycone:
CC=C(N=C(O)CC(O)CCCCCCCCCCC)C(O)=NC1C(O)=NC(C(C)O)C(O)=NC(CC(C)C)C(O)=NCC(O)=NC(CCC(=N)O)C(O)=NCC(=O)N(C)C(C(C)O)C(O)=NC(CCCNC(=N)N)C(=O)OC1CSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 33 | RingCount: | 2 |
| HBD: | 20 | FractionCSP3: | 0.76 |
| AlogP: | 3.04 | Num_rotatable_bonds: | 29 |
| MolWt: | 1300.52 | Num_heavy_atoms: | 91 |
| TPSA: | 553.15 | NumAromaticRings: | 0 |
Unique Aglycone
AD50070
Formula: C52H91O15N13
Smiles:
CC=C(N=C(O)CC(O)CCCCCCCCCCC)C(O)=NC1C(O)=NC(C(C)O)C(O)=NC(CC(C)C)C(O)=NCC(O)=NC(CCC(=N)O)C(O)=NCC(=O)N(C)C(C(C)O)C(O)=NC(CCCNC(=N)N)C(=O)OC1C| HBA: | 28 | RingCount: | 1 |
| HBD: | 17 | FractionCSP3: | 0.73 |
| AlogP: | 5.22 | Num_rotatable_bonds: | 26 |
| MolWt: | 1138.38 | Num_heavy_atoms: | 80 |
| TPSA: | 474.0 | NumAromaticRings: | 0 |
