Glycoside
GD132903
Name:
3-[6-(1,2-dihydroxy-2-methylpropyl)-4-methyl-2-oxooxan-3-yl]-3,4,7,7-tetramethyl-8-[(3,4,5-trihydroxyoxan-2-yl)oxy]-dodecahydro-1H-cyclopropa[f]phenanthrene-4-carboxylic acidFormula:
C35H56O11Smiles:
CC1CC(C(O)C(C)(C)O)OC(=O)C1C1(C)CCC23CC24CCC(OC2OCC(O)C(O)C2O)C(C)(C)C4CCC3C1(C)C(=O)OAglycone:
CC1CC(C(O)C(C)(C)O)OC(=O)C1C1(C)CCC23CC24CCC(O)C(C)(C)C4CCC3C1(C)C(=O)OSugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.94 |
| AlogP: | 2.62 | Num_rotatable_bonds: | 6 |
| MolWt: | 652.82 | Num_heavy_atoms: | 46 |
| TPSA: | 183.21 | NumAromaticRings: | 0 |
Unique Aglycone
AD53806
Formula: C30H48O7
Smiles:
CC1CC(C(O)C(C)(C)O)OC(=O)C1C1(C)CCC23CC24CCC(O)C(C)(C)C4CCC3C1(C)C(=O)O| HBA: | 7 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.16 | Num_rotatable_bonds: | 4 |
| MolWt: | 520.71 | Num_heavy_atoms: | 37 |
| TPSA: | 124.29 | NumAromaticRings: | 0 |
