Glycoside
GD141302
Name:
2-(2-{[3,5-dihydroxy-6-(hydroxymethyl)-4-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-7-hydroxy-9a,11a-dimethyl-9-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl)-6-methylheptan-3-oneFormula:
C45H76O17Smiles:
CC(C)CCC(=O)C(C)C1C(OC2OC(CO)C(O)C(OC3OC(C)C(O)C(O)C3O)C2O)CC2C3CCC4CC(O)CC(OC5OC(C)C(O)C(O)C5O)C4(C)C3CCC21CAglycone:
CC(C)CCC(=O)C(C)C1C(O)CC2C3CCC4CC(O)CC(O)C4(C)C3CCC21CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)C(O)OC(CO)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 10 | FractionCSP3: | 0.98 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 12 |
| MolWt: | 889.09 | Num_heavy_atoms: | 62 |
| TPSA: | 274.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD56935
Formula: C27H46O4
Smiles:
CC(C)CCC(=O)C(C)C1C(O)CC2C3CCC4CC(O)CC(O)C4(C)C3CCC21C| HBA: | 4 | RingCount: | 4 |
| HBD: | 3 | FractionCSP3: | 0.96 |
| AlogP: | 4.59 | Num_rotatable_bonds: | 5 |
| MolWt: | 434.66 | Num_heavy_atoms: | 31 |
| TPSA: | 77.76 | NumAromaticRings: | 0 |
