Glycoside
GD125075
Name:
SaricandinFormula:
C44H54O16Smiles:
CCCCCC=CC=CC(O)CC=CC=CC(=O)OC1C(OC2OC(COC(=O)C=Cc3ccccc3)C(O)C(O)C2O)C(CO)OC2(OCc3cc(O)cc(O)c32)C1OAglycone:
CCCCCC=CC=CC(O)CC=CC=CC(=O)OC1C(O)C(CO)OC2(OCc3cc(O)cc(O)c32)C1O.COC(=O)C=Cc1ccccc1Sugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 16 | RingCount: | 5 |
| HBD: | 8 | FractionCSP3: | 0.45 |
| AlogP: | 2.45 | Num_rotatable_bonds: | 18 |
| MolWt: | 838.9 | Num_heavy_atoms: | 60 |
| TPSA: | 251.36 | NumAromaticRings: | 2 |
Unique Aglycone
AD00648
Formula: C10H10O2
Smiles:
COC(=O)C=Cc1ccccc1| HBA: | 2 | RingCount: | 1 |
| HBD: | 0 | FractionCSP3: | 0.1 |
| AlogP: | 1.87 | Num_rotatable_bonds: | 2 |
| MolWt: | 162.19 | Num_heavy_atoms: | 12 |
| TPSA: | 26.3 | NumAromaticRings: | 1 |
AD50574
Formula: C29H38O10
Smiles:
CCCCCC=CC=CC(O)CC=CC=CC(=O)OC1C(O)C(CO)OC2(OCc3cc(O)cc(O)c32)C1O| HBA: | 10 | RingCount: | 3 |
| HBD: | 6 | FractionCSP3: | 0.48 |
| AlogP: | 2.36 | Num_rotatable_bonds: | 12 |
| MolWt: | 546.61 | Num_heavy_atoms: | 39 |
| TPSA: | 166.14 | NumAromaticRings: | 1 |
