Glycoside
GD146008
Name:
2-(hydroxymethyl)-5-{2-[3-(hydroxymethyl)phenyl]-3-methylbutyl}-3-[3,4,5-trihydroxy-5-(hydroxymethyl)oxolane-2-carbonyloxy]-3aH-indol-3a-ideFormula:
C27H32O9NSmiles:
CC(C)C(Cc1ccc2[n-]c(CO)c(OC(=O)C3OC(O)(CO)C(O)C3O)c2c1)c1cccc(CO)c1Aglycone:
CC(C)C(Cc1ccc2[n-]c(CO)c(OC=O)c2c1)c1cccc(CO)c1Sugarmoiety:
OCC1(O)OC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.44 |
| AlogP: | 0.47 | Num_rotatable_bonds: | 9 |
| MolWt: | 514.55 | Num_heavy_atoms: | 37 |
| TPSA: | 171.01 | NumAromaticRings: | 3 |
Unique Aglycone
AD58576
Formula: C22H24O4N
Smiles:
CC(C)C(Cc1ccc2[n-]c(CO)c(OC=O)c2c1)c1cccc(CO)c1| HBA: | 5 | RingCount: | 3 |
| HBD: | 2 | FractionCSP3: | 0.32 |
| AlogP: | 3.3 | Num_rotatable_bonds: | 8 |
| MolWt: | 366.44 | Num_heavy_atoms: | 27 |
| TPSA: | 80.86 | NumAromaticRings: | 3 |
