Glycoside
GD118456
Name:
Burkholidine 1213Formula:
C52H83O22N11Smiles:
CCCCCCCCCCCC(OC1OCC(O)C(O)C1O)C(O)C(O)CC1CC(O)=NC(C)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(C)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: | 33 | RingCount: | 3 |
| HBD: | 23 | FractionCSP3: | 0.67 |
| AlogP: | 1.68 | Num_rotatable_bonds: | 25 |
| MolWt: | 1214.29 | Num_heavy_atoms: | 85 |
| TPSA: | 593.49 | NumAromaticRings: | 1 |
Unique Aglycone
AD47367
Formula: C47H75O18N11
Smiles:
CCCCCCCCCCCC(O)C(O)C(O)CC1CC(O)=NC(C)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: | 29 | RingCount: | 2 |
| HBD: | 21 | FractionCSP3: | 0.64 |
| AlogP: | 3.21 | Num_rotatable_bonds: | 23 |
| MolWt: | 1082.18 | Num_heavy_atoms: | 76 |
| TPSA: | 534.57 | NumAromaticRings: | 1 |
