Glycoside
GD117113
Name:
2-{[1-(3,7-dihydroxy-6-methylheptan-2-yl)-2-hydroxy-9a,11a-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-1H,2H,3H,3aH,3bH,4H,6H,7H,8H,9H,9aH,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-9-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C39H66O14Smiles:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(OC5OC(CO)C(O)C(O)C5O)CC(OC5OC(C)C(O)C(O)C5O)C4(C)C3CCC21CAglycone:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3CCC21CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 10 | FractionCSP3: | 0.95 |
| AlogP: | -0.05 | Num_rotatable_bonds: | 11 |
| MolWt: | 758.94 | Num_heavy_atoms: | 53 |
| TPSA: | 239.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD46645
Formula: C27H46O5
Smiles:
CC(CO)CCC(O)C(C)C1C(O)CC2C3CC=C4CC(O)CC(O)C4(C)C3CCC21C| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 3.27 | Num_rotatable_bonds: | 6 |
| MolWt: | 450.66 | Num_heavy_atoms: | 32 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
