Glycoside
GD121856
Name:
7-{[4,5-dihydroxy-6-(hydroxymethyl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]oxan-2-yl]oxy}-9a,11a-dimethyl-1-(6-methylhept-3-en-2-yl)-3-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]-hexadecahydro-1H-cyclopenta[a]phenanthren-2-yl acetateFormula:
C47H78O17Smiles:
CC(=O)OC1C(OC2OC(C)C(O)C(O)C2O)C2C3CCC4CC(OC5OC(CO)C(O)C(O)C5OC5OC(C)C(O)C(O)C5O)CCC4(C)C3CCC2(C)C1C(C)C=CCC(C)CAglycone:
CC(=O)OC1C(O)C2C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C(C)C=CCC(C)CSugarmoiety:
CC1OC(O)C(O)C(O)C1O.CC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 17 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.94 |
| AlogP: | 1.28 | Num_rotatable_bonds: | 12 |
| MolWt: | 915.12 | Num_heavy_atoms: | 64 |
| TPSA: | 263.75 | NumAromaticRings: | 0 |
Unique Aglycone
AD49071
Formula: C29H48O4
Smiles:
CC(=O)OC1C(O)C2C3CCC4CC(O)CCC4(C)C3CCC2(C)C1C(C)C=CCC(C)C| HBA: | 4 | RingCount: | 4 |
| HBD: | 2 | FractionCSP3: | 0.9 |
| AlogP: | 5.76 | Num_rotatable_bonds: | 5 |
| MolWt: | 460.7 | Num_heavy_atoms: | 33 |
| TPSA: | 66.76 | NumAromaticRings: | 0 |
