Glycoside
GD151366
Name:
2-[(7-hydroxy-6-methyl-2-{7,9,11-trihydroxy-3a,3b,6,6,9a-pentamethyl-hexadecahydro-1H-cyclopenta[a]phenanthren-1-yl}hept-5-en-2-yl)oxy]-6-({[2,3,4-trihydroxy-5-(hydroxymethyl)cyclohexyl]oxy}methyl)oxane-3,4,5-triolFormula:
C43H74O14Smiles:
CC(=CCCC(C)(OC1OC(COC2CC(CO)C(O)C(O)C2O)C(O)C(O)C1O)C1CCC2(C)C1C(O)CC1C3(C)C(O)CC(O)C(C)(C)C3CCC12C)COAglycone:
CC(=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)C(O)CC(O)C(C)(C)C3CCC12C)CO.COC1CC(CO)C(O)C(O)C1OSugarmoiety:
OC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.95 |
| AlogP: | 0.76 | Num_rotatable_bonds: | 11 |
| MolWt: | 815.05 | Num_heavy_atoms: | 57 |
| TPSA: | 250.22 | NumAromaticRings: | 0 |
Unique Aglycone
AD47730
Formula: C8H16O5
Smiles:
COC1CC(CO)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 1.0 |
| AlogP: | -1.9 | Num_rotatable_bonds: | 2 |
| MolWt: | 192.21 | Num_heavy_atoms: | 13 |
| TPSA: | 90.15 | NumAromaticRings: | 0 |
AD58548
Formula: C30H52O5
Smiles:
CC(=CCCC(C)(O)C1CCC2(C)C1C(O)CC1C3(C)C(O)CC(O)C(C)(C)C3CCC12C)CO| HBA: | 5 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.93 |
| AlogP: | 4.44 | Num_rotatable_bonds: | 5 |
| MolWt: | 492.74 | Num_heavy_atoms: | 35 |
| TPSA: | 101.15 | NumAromaticRings: | 0 |
