Glycoside
GD136080
Name:
methyl 7-[(3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl)oxy]-1H-indol-3-yl carbonateFormula:
C22H29O13NSmiles:
COC(=O)Oc1c[nH]c2c(OC3OC(COC4OC(C)C(O)C(O)C4O)C(O)C(O)C3O)cccc12Aglycone:
COC(=O)Oc1c[nH]c2c(O)cccc12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.59 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 6 |
| MolWt: | 515.47 | Num_heavy_atoms: | 36 |
| TPSA: | 209.62 | NumAromaticRings: | 2 |
Unique Aglycone
AD55008
Formula: C10H9O4N
Smiles:
COC(=O)Oc1c[nH]c2c(O)cccc12| HBA: | 5 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.1 |
| AlogP: | 2.02 | Num_rotatable_bonds: | 1 |
| MolWt: | 207.19 | Num_heavy_atoms: | 15 |
| TPSA: | 71.55 | NumAromaticRings: | 2 |
