Glycoside
GD151753
Name:
5-[(5-{[5,6-dihydroxy-3-(hydroxymethyl)-4-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}cyclohex-2-en-1-yl]amino}-3,4-dihydroxy-6-methyloxan-2-yl)oxy]-6-(hydroxymethyl)oxane-2,3,4-triolFormula:
C25H43O18NSmiles:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1NC1C=C(CO)C(OC2OC(CO)C(O)C(O)C2O)C(O)C1OAglycone:
NC1C=C(CO)C(O)C(O)C1OSugarmoiety:
CC1OC(OC2C(CO)OC(O)C(O)C2O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 19 | RingCount: | 4 |
| HBD: | 14 | FractionCSP3: | 0.92 |
| AlogP: | -8.56 | Num_rotatable_bonds: | 9 |
| MolWt: | 645.61 | Num_heavy_atoms: | 44 |
| TPSA: | 321.17 | NumAromaticRings: | 0 |
Unique Aglycone
AD02201
Formula: C7H13O4N
Smiles:
NC1C=C(CO)C(O)C(O)C1O| HBA: | 5 | RingCount: | 1 |
| HBD: | 6 | FractionCSP3: | 0.71 |
| AlogP: | -2.67 | Num_rotatable_bonds: | 1 |
| MolWt: | 175.18 | Num_heavy_atoms: | 12 |
| TPSA: | 106.94 | NumAromaticRings: | 0 |
