Glycoside
GD150040
Name:
NoneFormula:
C39H62O16Smiles:
C=C1CC23CCC4C(C)(C(=O)OC5CC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(OC1OC(CO)C(O)C(O)C1OC1OC(C)C(O)C(O)C1O)C3Aglycone:
C=C1CC23CCC4C(C)(C(=O)OC5CC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(O)C3Sugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.92 |
| AlogP: | -1.25 | Num_rotatable_bonds: | 8 |
| MolWt: | 786.91 | Num_heavy_atoms: | 55 |
| TPSA: | 265.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD59962
Formula: C27H42O7
Smiles:
C=C1CC23CCC4C(C)(C(=O)OC5CC(CO)C(O)C(O)C5O)CCCC4(C)C2CCC1(O)C3| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.89 |
| AlogP: | 2.08 | Num_rotatable_bonds: | 3 |
| MolWt: | 478.63 | Num_heavy_atoms: | 34 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
