Glycoside
GD140744
Name:
6-[(2-{1',5,9'a,11'a-tetramethyl-3'a,3'b,5'a,6',7',8',9',9'a,9'b,10',11',11'a-dodecahydro-1'H-spiro[oxane-2,2'-phenanthro[1,2-b]furan]-7'-yl}-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl)oxy]oxane-2,3,4,5-tetrolFormula:
C35H56O12Smiles:
CC1CCC2(OC1)OC1C3C=CC4CC(C5OC(CO)C(O)C(O)C5OC5OC(O)C(O)C(O)C5O)CCC4(C)C3CCC1(C)C2CAglycone:
CC1CCC2(OC1)OC1C3C=CC4CCCCC4(C)C3CCC1(C)C2CSugarmoiety:
OCC1OC(O)C(OC2OC(O)C(O)C(O)C2O)C(O)C1OOther Identifiers
Properties
| HBA: | 12 | RingCount: | 7 |
| HBD: | 7 | FractionCSP3: | 0.94 |
| AlogP: | 0.81 | Num_rotatable_bonds: | 4 |
| MolWt: | 668.82 | Num_heavy_atoms: | 47 |
| TPSA: | 187.76 | NumAromaticRings: | 0 |
Unique Aglycone
AD56743
Formula: C24H38O2
Smiles:
CC1CCC2(OC1)OC1C3C=CC4CCCCC4(C)C3CCC1(C)C2C| HBA: | 2 | RingCount: | 5 |
| HBD: | 0 | FractionCSP3: | 0.92 |
| AlogP: | 5.96 | Num_rotatable_bonds: | 0 |
| MolWt: | 358.57 | Num_heavy_atoms: | 26 |
| TPSA: | 18.46 | NumAromaticRings: | 0 |
