Glycoside
GD146302
Name:
Colopsinol DFormula:
C71H118O24SSmiles:
C=CCCC1OC1CC(=C)CCC1OC1CCCCC=CCCC=CCC(C)C=CCC(C)CCCCCCC(=O)CCCC(CC(O)CC(=O)CC1CCC(C2CC(O)C(OS(=O)(=O)O)C(CC(C)O)O2)O1)OC1OC(COC2OC(CO)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
C=CCCC1OC1CC(=C)CCC1OC1CCCCC=CCCC=CCC(C)C=CCC(C)CCCCCCC(=O)CCCC(O)CC(O)CC(=O)CC1CCC(C2CC(O)C(OS(=O)(=O)O)C(CC(C)O)O2)O1Sugarmoiety:
OCC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 24 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.83 |
| AlogP: | 6.49 | Num_rotatable_bonds: | 49 |
| MolWt: | 1387.77 | Num_heavy_atoms: | 96 |
| TPSA: | 380.48 | NumAromaticRings: | 0 |
Unique Aglycone
AD58679
Formula: C59H98O14S
Smiles:
C=CCCC1OC1CC(=C)CCC1OC1CCCCC=CCCC=CCC(C)C=CCC(C)CCCCCCC(=O)CCCC(O)CC(O)CC(=O)CC1CCC(C2CC(O)C(OS(=O)(=O)O)C(CC(C)O)O2)O1| HBA: | 14 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.8 |
| AlogP: | 10.84 | Num_rotatable_bonds: | 43 |
| MolWt: | 1063.49 | Num_heavy_atoms: | 74 |
| TPSA: | 222.18 | NumAromaticRings: | 0 |
