Glycoside
GD136700
Name:
ivorenoside aFormula:
C72H114O21Smiles:
CC(C)(CCC1(C(=O)OC2OC(CO)C(O)C(O)C2O)CCC2(C)C(=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC32C)C1)C1OCC2(C)C(O1)C(O)CC1(C)C2CCC2(C)C1CC=C1C3C(O)C(C)(C)CCC3(C(=O)OC3OC(CO)C(O)C(O)C3O)CCC12CAglycone:
CC(C)(CCC1(C(=O)O)CCC2(C)C(=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC32C)C1)C1OCC2(C)C(O1)C(O)CC1(C)C2CCC2(C)C1CC=C1C3C(O)C(C)(C)CCC3(C(=O)O)CCC12CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 12 |
| HBD: | 13 | FractionCSP3: | 0.92 |
| AlogP: | 4.61 | Num_rotatable_bonds: | 11 |
| MolWt: | 1315.68 | Num_heavy_atoms: | 93 |
| TPSA: | 352.51 | NumAromaticRings: | 0 |
Unique Aglycone
AD55261
Formula: C60H94O11
Smiles:
CC(C)(CCC1(C(=O)O)CCC2(C)C(=CCC3C4(C)CC(O)C(O)C(C)(CO)C4CCC32C)C1)C1OCC2(C)C(O1)C(O)CC1(C)C2CCC2(C)C1CC=C1C3C(O)C(C)(C)CCC3(C(=O)O)CCC12C| HBA: | 11 | RingCount: | 10 |
| HBD: | 7 | FractionCSP3: | 0.9 |
| AlogP: | 10.1 | Num_rotatable_bonds: | 7 |
| MolWt: | 991.4 | Num_heavy_atoms: | 71 |
| TPSA: | 194.21 | NumAromaticRings: | 0 |
