Glycoside
GD149014
Name:
Brainesteroside CFormula:
C33H50O11Smiles:
CC(C)CCC(O)C(C)(O)C1CC=C2C3=C(CCC21C)C1(C)CC(O)C(OC2OC(CO)C(O)C(O)C2O)CC1=C(O)C3=OAglycone:
CC(C)CCC(O)C(C)(O)C1CC=C2C3=C(CCC21C)C1(C)CC(O)C(O)CC1=C(O)C3=OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.79 |
| AlogP: | 1.32 | Num_rotatable_bonds: | 8 |
| MolWt: | 622.75 | Num_heavy_atoms: | 44 |
| TPSA: | 197.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD59593
Formula: C27H40O6
Smiles:
CC(C)CCC(O)C(C)(O)C1CC=C2C3=C(CCC21C)C1(C)CC(O)C(O)CC1=C(O)C3=O| HBA: | 6 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.74 |
| AlogP: | 3.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.61 | Num_heavy_atoms: | 33 |
| TPSA: | 118.22 | NumAromaticRings: | 0 |
