Glycoside
GD128240
Name:
2-{[1-(4,5-dihydroxy-6-methylheptan-2-yl)-5-hydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl]oxy}-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C39H68O15Smiles:
CC(C)C(O)C(O)CC(C)C1C(OC2OC(CO)C(O)C(O)C2O)CC2C3CC(O)C4CC(OC5OC(CO)C(O)C(O)C5O)CCC4(C)C3CCC21CAglycone:
CC(C)C(O)C(O)CC(C)C1C(O)CC2C3CC(O)C4CC(O)CCC4(C)C3CCC21CSugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 1.0 |
| AlogP: | -1.0 | Num_rotatable_bonds: | 11 |
| MolWt: | 776.96 | Num_heavy_atoms: | 54 |
| TPSA: | 259.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD02443
Formula: C27H48O5
Smiles:
CC(C)C(O)C(O)CC(C)C1C(O)CC2C3CC(O)C4CC(O)CCC4(C)C3CCC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 1.0 |
| AlogP: | 3.35 | Num_rotatable_bonds: | 5 |
| MolWt: | 452.68 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
