Glycoside
GD123009
Name:
3a-hydroxy-7-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-9a,11a-dimethyl-1-(5-oxo-2,5-dihydrofuran-3-yl)-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl formateFormula:
C31H46O9Smiles:
COC1CC(OC2CCC3(C)C(CCC4C3CCC3(C)C(C5=CC(=O)OC5)C(OC=O)CC43O)C2)OC(C)C1OAglycone:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(OC=O)CC12OSugarmoiety:
COC1CC(O)OC(C)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 6 |
| HBD: | 2 | FractionCSP3: | 0.87 |
| AlogP: | 3.29 | Num_rotatable_bonds: | 6 |
| MolWt: | 562.7 | Num_heavy_atoms: | 40 |
| TPSA: | 120.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD04703
Formula: C24H34O6
Smiles:
CC12CCC(O)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)C(OC=O)CC12O| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.83 |
| AlogP: | 2.76 | Num_rotatable_bonds: | 3 |
| MolWt: | 418.53 | Num_heavy_atoms: | 30 |
| TPSA: | 93.06 | NumAromaticRings: | 0 |
