Glycoside
GD151241
Name:
Bk-1229Formula:
C52H83O23N11Smiles:
CCCCCCCCCCCC(OC1OCC(O)C(O)C1O)C(O)C(O)CC1CC(O)=NC(CO)C(O)=NC(C(O)c2ccc(O)cc2)C(O)=NC(CC(=N)O)C(O)=NCC(O)=NC(CC(=N)O)C(O)=NC(CO)C(O)=NC(C(O)C(=N)O)C(O)=N1Aglycone:
CCCCCCCCCCCC(O)C(O)C(O)CC1CC(O)=NC(CO)C(O)=NC(C(O)c2ccc(O)cc2)C(O)=NC(CC(=N)O)C(O)=NCC(O)=NC(CC(=N)O)C(O)=NC(CO)C(O)=NC(C(O)C(=N)O)C(O)=N1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 34 | RingCount: | 3 |
| HBD: | 24 | FractionCSP3: | 0.67 |
| AlogP: | 0.65 | Num_rotatable_bonds: | 26 |
| MolWt: | 1230.29 | Num_heavy_atoms: | 86 |
| TPSA: | 613.72 | NumAromaticRings: | 1 |
Unique Aglycone
AD60337
Formula: C47H75O19N11
Smiles:
CCCCCCCCCCCC(O)C(O)C(O)CC1CC(O)=NC(CO)C(O)=NC(C(O)c2ccc(O)cc2)C(O)=NC(CC(=N)O)C(O)=NCC(O)=NC(CC(=N)O)C(O)=NC(CO)C(O)=NC(C(O)C(=N)O)C(O)=N1| HBA: | 30 | RingCount: | 2 |
| HBD: | 22 | FractionCSP3: | 0.64 |
| AlogP: | 2.19 | Num_rotatable_bonds: | 24 |
| MolWt: | 1098.18 | Num_heavy_atoms: | 77 |
| TPSA: | 554.8 | NumAromaticRings: | 1 |
