Glycoside
GD147072
Name:
Camellidin IFormula:
C55H86O25Smiles:
CC(=O)OC12CC(C)(C)CCC1C(=O)CC1(C)C2=CCC2C3(C)CCC(OC4OC(C(=O)O)C(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(C)(C)C3CCC21CAglycone:
CC(=O)OC12CC(C)(C)CCC1C(=O)CC1(C)C2=CCC2C3(C)CCC(O)C(C)(C)C3CCC21CSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 25 | RingCount: | 9 |
| HBD: | 13 | FractionCSP3: | 0.91 |
| AlogP: | -1.97 | Num_rotatable_bonds: | 13 |
| MolWt: | 1147.27 | Num_heavy_atoms: | 80 |
| TPSA: | 397.27 | NumAromaticRings: | 0 |
Unique Aglycone
AD49802
Formula: C31H48O4
Smiles:
CC(=O)OC12CC(C)(C)CCC1C(=O)CC1(C)C2=CCC2C3(C)CCC(O)C(C)(C)C3CCC21C| HBA: | 4 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.87 |
| AlogP: | 6.64 | Num_rotatable_bonds: | 1 |
| MolWt: | 484.72 | Num_heavy_atoms: | 35 |
| TPSA: | 63.6 | NumAromaticRings: | 0 |
Sugarmoiety
SD07384
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OC1OC(CO)C(O)C(O)C1OC1OC(CO)C(O)C(O)C1O