Glycoside
GD125836
Name:
2-{[2-({1-[4-(3,3-dimethyloxiran-2-yl)-4-hydroxybut-2-en-2-yl]-7,11-dihydroxy-3b,6,6,9a-tetramethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-5-yl}oxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy}-6-methyloxane-3,4,5-triolFormula:
C41H68O14Smiles:
CC(=CC(O)C1OC1(C)C)C1CCC2C1C(O)CC1C2(C)CC(OC2OC(CO)C(O)C(O)C2OC2OC(C)C(O)C(O)C2O)C2C(C)(C)C(O)CCC21CAglycone:
CC(=CC(O)C1OC1(C)C)C1CCC2C1C(O)CC1C2(C)CC(O)C2C(C)(C)C(O)CCC21CSugarmoiety:
CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 0.74 | Num_rotatable_bonds: | 8 |
| MolWt: | 784.98 | Num_heavy_atoms: | 55 |
| TPSA: | 231.52 | NumAromaticRings: | 0 |
Unique Aglycone
AD50894
Formula: C29H48O5
Smiles:
CC(=CC(O)C1OC1(C)C)C1CCC2C1C(O)CC1C2(C)CC(O)C2C(C)(C)C(O)CCC21C| HBA: | 5 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.93 |
| AlogP: | 4.07 | Num_rotatable_bonds: | 3 |
| MolWt: | 476.7 | Num_heavy_atoms: | 34 |
| TPSA: | 93.45 | NumAromaticRings: | 0 |
