Glycoside
GD131265
Name:
bridgeside c1Formula:
C49H74O21Smiles:
CC(=O)OC1CC23CC(OC2=O)C2(C)C(=CCC4C5(C)CCC(OC6OC(C(=O)O)C(O)C(O)C6OC6OC(CO)C(O)C(O)C6OC6OCC(O)C(O)C6O)C(C)(C)C5CCC42C)C3CC1(C)COAglycone:
CC(=O)OC1CC23CC(OC2=O)C2(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC42C)C3CC1(C)COSugarmoiety:
O=C(O)C1OC(O)C(OC2OC(CO)C(O)C(O)C2OC2OCC(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 9 |
| HBD: | 10 | FractionCSP3: | 0.9 |
| AlogP: | -0.6 | Num_rotatable_bonds: | 10 |
| MolWt: | 999.11 | Num_heavy_atoms: | 70 |
| TPSA: | 327.35 | NumAromaticRings: | 0 |
Unique Aglycone
AD53186
Formula: C32H48O6
Smiles:
CC(=O)OC1CC23CC(OC2=O)C2(C)C(=CCC4C5(C)CCC(O)C(C)(C)C5CCC42C)C3CC1(C)CO| HBA: | 6 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 5.2 | Num_rotatable_bonds: | 2 |
| MolWt: | 528.73 | Num_heavy_atoms: | 38 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
