Glycoside
GD117306
Name:
1-[5-({[5-(1,2-dihydroxyethyl)-4-hydroxy-3-[(4-hydroxy-3,5-dimethoxyoxan-2-yl)oxy]oxolan-2-yl]oxy}methyl)-6-methylhept-3-en-2-yl]-9a,11a-dimethyl-hexadecahydro-1H-cyclopenta[a]phenanthrene-2,3,3b,5,7-pentolFormula:
C41H70O15Smiles:
COC1COC(OC2C(OCC(C=CC(C)C3C(O)C(O)C4C3(C)CCC3C5(C)CCC(O)CC5C(O)CC34O)C(C)C)OC(C(O)CO)C2O)C(OC)C1OAglycone:
CC(C)C(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)COSugarmoiety:
COC1COC(OC2C(O)OC(C(O)CO)C2O)C(OC)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 9 | FractionCSP3: | 0.95 |
| AlogP: | 0.09 | Num_rotatable_bonds: | 13 |
| MolWt: | 803.0 | Num_heavy_atoms: | 56 |
| TPSA: | 237.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD46754
Formula: C28H48O6
Smiles:
CC(C)C(C=CC(C)C1C(O)C(O)C2C1(C)CCC1C3(C)CCC(O)CC3C(O)CC12O)CO| HBA: | 6 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.93 |
| AlogP: | 2.49 | Num_rotatable_bonds: | 5 |
| MolWt: | 480.69 | Num_heavy_atoms: | 34 |
| TPSA: | 121.38 | NumAromaticRings: | 0 |
