Glycoside
GD142225
Name:
9a-formyl-3a-hydroxy-11a-methyl-1-(2-oxo-2H-pyran-5-yl)-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-5a-yl acetateFormula:
C32H44O12Smiles:
CC(=O)OC12CCC3C(CCC4(C)C(c5ccc(=O)oc5)CCC34O)C1(C=O)CCC(OC1OC(CO)C(O)C(O)C1O)C2Aglycone:
CC(=O)OC12CCC3C(CCC4(C)C(c5ccc(=O)oc5)CCC34O)C1(C=O)CCC(O)C2Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.78 |
| AlogP: | 0.93 | Num_rotatable_bonds: | 6 |
| MolWt: | 620.69 | Num_heavy_atoms: | 44 |
| TPSA: | 193.19 | NumAromaticRings: | 1 |
Unique Aglycone
AD51627
Formula: C26H34O7
Smiles:
CC(=O)OC12CCC3C(CCC4(C)C(c5ccc(=O)oc5)CCC34O)C1(C=O)CCC(O)C2| HBA: | 7 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.73 |
| AlogP: | 3.11 | Num_rotatable_bonds: | 3 |
| MolWt: | 458.55 | Num_heavy_atoms: | 33 |
| TPSA: | 114.04 | NumAromaticRings: | 1 |
