Glycoside
GD131006
Name:
4-{7-[(4,5-dihydroxy-3-methoxy-6-methyloxan-2-yl)oxy]-3a,5a,9a,11-tetrahydroxy-11a-methyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}-2,5-dihydrofuran-2-oneFormula:
C29H44O11Smiles:
COC1C(OC2CCC3(O)C4CC(O)C5(C)C(C6=CC(=O)OC6)CCC5(O)C4CCC3(O)C2)OC(C)C(O)C1OAglycone:
CC12C(O)CC3C(CCC4(O)CC(O)CCC34O)C1(O)CCC2C1=CC(=O)OC1Sugarmoiety:
COC1C(O)OC(C)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.9 |
| AlogP: | -0.08 | Num_rotatable_bonds: | 4 |
| MolWt: | 568.66 | Num_heavy_atoms: | 40 |
| TPSA: | 175.37 | NumAromaticRings: | 0 |
Unique Aglycone
AD46071
Formula: C22H32O7
Smiles:
CC12C(O)CC3C(CCC4(O)CC(O)CCC34O)C1(O)CCC2C1=CC(=O)OC1| HBA: | 7 | RingCount: | 5 |
| HBD: | 5 | FractionCSP3: | 0.86 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 1 |
| MolWt: | 408.49 | Num_heavy_atoms: | 29 |
| TPSA: | 127.45 | NumAromaticRings: | 0 |
