Glycoside
GD142937
Name:
2-(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-9a,11a-dimethyl-2-oxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-6-methyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}heptan-3-oneFormula:
C45H74O18Smiles:
CC(CCC(=O)C(C)C1C(=O)CC2C3CCC4CC(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC21C)COC1OC(CO)C(O)C(O)C1OAglycone:
CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CCC4CC(O)CCC4(C)C3CCC21CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 18 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.96 |
| AlogP: | -0.7 | Num_rotatable_bonds: | 14 |
| MolWt: | 903.07 | Num_heavy_atoms: | 63 |
| TPSA: | 291.82 | NumAromaticRings: | 0 |
Unique Aglycone
AD57506
Formula: C27H44O4
Smiles:
CC(CO)CCC(=O)C(C)C1C(=O)CC2C3CCC4CC(O)CCC4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.93 |
| AlogP: | 4.8 | Num_rotatable_bonds: | 6 |
| MolWt: | 432.65 | Num_heavy_atoms: | 31 |
| TPSA: | 74.6 | NumAromaticRings: | 0 |
