Glycoside
GD128430
Name:
2-[1-(7-{[3,4-dihydroxy-6-(hydroxymethyl)-5-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-2,4b,8,8-tetramethyl-1,2,3,4,4a,4b,5,6,7,8,8a,9-dodecahydrophenanthren-2-yl)-2-hydroxyethoxy]-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C38H64O17Smiles:
CC1OC(OC2C(CO)OC(OC3CCC4(C)C5CCC(C)(C(CO)OC6OC(CO)C(O)C(O)C6O)CC5=CCC4C3(C)C)C(O)C2O)C(O)C(O)C1OAglycone:
CC1(C(O)CO)CCC2C(=CCC3C(C)(C)C(O)CCC23C)C1Sugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 6 |
| HBD: | 11 | FractionCSP3: | 0.95 |
| AlogP: | -2.22 | Num_rotatable_bonds: | 10 |
| MolWt: | 792.91 | Num_heavy_atoms: | 55 |
| TPSA: | 277.91 | NumAromaticRings: | 0 |
Unique Aglycone
AD52020
Formula: C20H34O3
Smiles:
CC1(C(O)CO)CCC2C(=CCC3C(C)(C)C(O)CCC23C)C1| HBA: | 3 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.9 |
| AlogP: | 3.28 | Num_rotatable_bonds: | 2 |
| MolWt: | 322.49 | Num_heavy_atoms: | 23 |
| TPSA: | 60.69 | NumAromaticRings: | 0 |
