Glycoside
GD127133
Name:
CerbertinFormula:
C32H46O10Smiles:
COC1C(O)C(C)OC(OC2CCC3(C)C(CCC4C3C3OC3C3(C)C(C5=CC(=O)OC5)CCC43O)C2)C1OC(C)=OAglycone:
CC12CCC(O)CC1CCC1C2C2OC2C2(C)C(C3=CC(=O)OC3)CCC12OSugarmoiety:
COC1C(O)C(C)OC(O)C1OC(C)=OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 7 |
| HBD: | 2 | FractionCSP3: | 0.88 |
| AlogP: | 2.67 | Num_rotatable_bonds: | 5 |
| MolWt: | 590.71 | Num_heavy_atoms: | 42 |
| TPSA: | 133.28 | NumAromaticRings: | 0 |
Unique Aglycone
AD19411
Formula: C23H32O5
Smiles:
CC12CCC(O)CC1CCC1C2C2OC2C2(C)C(C3=CC(=O)OC3)CCC12O| HBA: | 5 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 2.59 | Num_rotatable_bonds: | 1 |
| MolWt: | 388.5 | Num_heavy_atoms: | 28 |
| TPSA: | 79.29 | NumAromaticRings: | 0 |
