Glycoside
GD127343
Name:
Camellidin IiFormula:
C53H84O24Smiles:
CC1(C)CCC2C(=O)CC3(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(OC7OC(CO)C(O)C(O)C7OC7OC(CO)C(O)C(O)C7O)C6OC6OC(CO)C(O)C(O)C6O)C(C)(C)C5CCC43C)C2(O)C1Aglycone:
CC1(C)CCC2C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2(O)C1Sugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 9 |
| HBD: | 14 | FractionCSP3: | 0.92 |
| AlogP: | -2.54 | Num_rotatable_bonds: | 12 |
| MolWt: | 1105.23 | Num_heavy_atoms: | 77 |
| TPSA: | 391.2 | NumAromaticRings: | 0 |
Unique Aglycone
AD51568
Formula: C29H46O3
Smiles:
CC1(C)CCC2C(=O)CC3(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC43C)C2(O)C1| HBA: | 3 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 6.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 442.68 | Num_heavy_atoms: | 32 |
| TPSA: | 57.53 | NumAromaticRings: | 0 |
Sugarmoiety
SD01335
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2O)C(OC2OC(CO)C(O)C(O)C2OC2OC(CO)C(O)C(O)C2O)C1O