Glycoside
GD120259
Name:
6-(7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}oxan-2-yl]oxy}-9a,11a-dimethyl-2,5-dioxo-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-6-hydroxy-3-(2-hydroxypropan-2-yl)heptan-2-yl acetateFormula:
C43H70O17Smiles:
CC(=O)OC(C)C(CCC(C)(O)C1C(=O)CC2C3CC(=O)C4CC(OC5OC(CO)C(O)C(O)C5OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21C)C(C)(C)OAglycone:
CC(=O)OC(C)C(CCC(C)(O)C1C(=O)CC2C3CC(=O)C4CC(O)CCC4(C)C3CCC21C)C(C)(C)OSugarmoiety:
OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.93 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 13 |
| MolWt: | 859.02 | Num_heavy_atoms: | 60 |
| TPSA: | 279.43 | NumAromaticRings: | 0 |
Unique Aglycone
AD48286
Formula: C31H50O7
Smiles:
CC(=O)OC(C)C(CCC(C)(O)C1C(=O)CC2C3CC(=O)C4CC(O)CCC4(C)C3CCC21C)C(C)(C)O| HBA: | 7 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 4.23 | Num_rotatable_bonds: | 7 |
| MolWt: | 534.73 | Num_heavy_atoms: | 38 |
| TPSA: | 121.13 | NumAromaticRings: | 0 |
