Glycoside
GD006747
Name:
BURKHOLDINES 1119Formula:
C52H85O21N11Smiles:
CCCCCCCCCCC[C@H](O[C@@H]1OC[C@H](O)[C@H](O)[C@H]1O)[C@H](O)[C@H](O)C[C@@H]1CC(=O)N[C@H](CO)C(=O)N[C@H]([C@H](O)c2ccc(O)cc2)C(=O)N[C@H](CCN)C(=O)NCC(=O)N[C@H](CC(N)=O)C(=O)N[C@H](CO)C(=O)N[C@H](CC(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(CC(N)=O)C(=O)N1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 32 | RingCount: | 3 |
| HBD: | 23 | FractionCSP3: | 0.69 |
| AlogP: | -7.72 | Num_rotatable_bonds: | 26 |
| MolWt: | 1200.31 | Num_heavy_atoms: | 84 |
| TPSA: | 545.53 | NumAromaticRings: | 1 |
Unique Aglycone
AD05548
Formula: C47H77O17N11
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(CC(N)=O)C(=O)N1| HBA: | 28 | RingCount: | 2 |
| HBD: | 21 | FractionCSP3: | 0.66 |
| AlogP: | -6.18 | Num_rotatable_bonds: | 24 |
| MolWt: | 1068.19 | Num_heavy_atoms: | 75 |
| TPSA: | 486.61 | NumAromaticRings: | 1 |
