Glycoside
GD157188
Name:
23672 RpFormula:
C48H82O20Smiles:
COC1C(OCC(C)C2OC(=O)C(C)C(OC3CC(C)(O)C(O)C(C)O3)C(C)C(OC3OC(C)CC(=O)C3O)C(C)CC(C)(O)C(=O)C(C)C(OC(=O)C(O)C(C)C)C2C)OC(C)C(O)C1OCAglycone:
CC1CC(=O)C(O)C(OC2C(C)CC(C)(O)C(=O)C(C)C(OC(=O)C(O)C(C)C)C(C)C(C(C)CO)OC(=O)C(C)C(O)C2C)O1Sugarmoiety:
CC1OC(O)CC(C)(O)C1O.COC1C(O)OC(C)C(O)C1OCOther Identifiers
Properties
| HBA: | 20 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.92 |
| AlogP: | 1.6 | Num_rotatable_bonds: | 13 |
| MolWt: | 979.16 | Num_heavy_atoms: | 68 |
| TPSA: | 281.96 | NumAromaticRings: | 0 |
Unique Aglycone
AD62169
Formula: C33H56O13
Smiles:
CC1CC(=O)C(O)C(OC2C(C)CC(C)(O)C(=O)C(C)C(OC(=O)C(O)C(C)C)C(C)C(C(C)CO)OC(=O)C(C)C(O)C2C)O1| HBA: | 13 | RingCount: | 2 |
| HBD: | 5 | FractionCSP3: | 0.88 |
| AlogP: | 1.17 | Num_rotatable_bonds: | 7 |
| MolWt: | 660.8 | Num_heavy_atoms: | 46 |
| TPSA: | 206.35 | NumAromaticRings: | 0 |
