Glycoside
GD115313
Name:
Burkholidine 1215Formula:
C52H85O22N11Smiles:
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(CCN)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(CCN)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: | 24 | FractionCSP3: | 0.69 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 26 |
| MolWt: | 1216.31 | Num_heavy_atoms: | 85 |
| TPSA: | 595.66 | NumAromaticRings: | 1 |
Unique Aglycone
AD45590
Formula: C47H77O18N11
Smiles:
CCCCCCCCCCCC(O)C(O)C(O)CC1CC(O)=NC(CO)C(O)=NC(C(O)c2ccc(O)cc2)C(O)=NC(CCN)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: | 22 | FractionCSP3: | 0.66 |
| AlogP: | 1.61 | Num_rotatable_bonds: | 24 |
| MolWt: | 1084.19 | Num_heavy_atoms: | 76 |
| TPSA: | 536.74 | NumAromaticRings: | 1 |
