Glycoside
GD123928
Name:
2-({7-[(3-{[3,5-dihydroxy-6-(hydroxymethyl)-4-methoxyoxan-2-yl]oxy}-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl)oxy]-2-ethenyl-2,4b,8,8-tetramethyl-2,3,4,4a,4b,5,6,7,8,8a,9,10-dodecahydrophenanthren-3-yl}oxy)-6-methyloxane-3,4,5-triolFormula:
C38H62O15Smiles:
C=CC1(C)C=C2CCC3C(C)(C)C(OC4OC(CO)C(O)C4OC4OC(CO)C(O)C(OC)C4O)CCC3(C)C2CC1OC1OC(C)C(O)C(O)C1OAglycone:
C=CC1(C)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1OSugarmoiety:
CC1OC(O)C(O)C(O)C1O.COC1C(O)C(CO)OC(OC2C(O)OC(CO)C2O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 6 |
| HBD: | 8 | FractionCSP3: | 0.89 |
| AlogP: | -0.12 | Num_rotatable_bonds: | 10 |
| MolWt: | 758.9 | Num_heavy_atoms: | 53 |
| TPSA: | 226.45 | NumAromaticRings: | 0 |
Unique Aglycone
AD49250
Formula: C20H32O2
Smiles:
C=CC1(C)C=C2CCC3C(C)(C)C(O)CCC3(C)C2CC1O| HBA: | 2 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.8 |
| AlogP: | 4.08 | Num_rotatable_bonds: | 1 |
| MolWt: | 304.47 | Num_heavy_atoms: | 22 |
| TPSA: | 40.46 | NumAromaticRings: | 0 |
