Glycoside
GD129921
Name:
1H-indol-3-yl 3,4,5-trihydroxy-6-{[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxy]methyl}oxan-2-yl carbonateFormula:
C21H27O12NSmiles:
CC1OC(OCC2OC(OC(=O)Oc3c[nH]c4ccccc34)C(O)C(O)C2O)C(O)C(O)C1OAglycone:
O=C(O)Oc1c[nH]c2ccccc12Sugarmoiety:
CC1OC(OCC2OC(O)C(O)C(O)C2O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 13 | RingCount: | 4 |
| HBD: | 7 | FractionCSP3: | 0.57 |
| AlogP: | -1.66 | Num_rotatable_bonds: | 5 |
| MolWt: | 485.44 | Num_heavy_atoms: | 34 |
| TPSA: | 200.39 | NumAromaticRings: | 2 |
Unique Aglycone
AD52635
Formula: C9H7O3N
Smiles:
O=C(O)Oc1c[nH]c2ccccc12| HBA: | 4 | RingCount: | 2 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 2.22 | Num_rotatable_bonds: | 1 |
| MolWt: | 177.16 | Num_heavy_atoms: | 13 |
| TPSA: | 62.32 | NumAromaticRings: | 2 |
