Glycoside
GD147938
Name:
4,5-dihydroxy-2-(hydroxymethyl)-6-[4-(8-methyl-1,2,3,5,6,8a-hexahydroindolizin-7-yl)phenoxy]oxan-3-yl 3-(4-hydroxyphenyl)prop-2-enoateFormula:
C30H35O8NSmiles:
CC1=C(c2ccc(OC3OC(CO)C(OC(=O)C=Cc4ccc(O)cc4)C(O)C3O)cc2)CCN2CCCC12Aglycone:
CC1=C(c2ccc(O)cc2)CCN2CCCC12.O=C(O)C=Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 9 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.43 |
| AlogP: | 2.48 | Num_rotatable_bonds: | 7 |
| MolWt: | 537.61 | Num_heavy_atoms: | 39 |
| TPSA: | 128.92 | NumAromaticRings: | 2 |
Unique Aglycone
AD00021
Formula: C9H8O3
Smiles:
O=C(O)C=Cc1ccc(O)cc1| HBA: | 3 | RingCount: | 1 |
| HBD: | 2 | FractionCSP3: | 0.0 |
| AlogP: | 1.49 | Num_rotatable_bonds: | 2 |
| MolWt: | 164.16 | Num_heavy_atoms: | 12 |
| TPSA: | 57.53 | NumAromaticRings: | 1 |
AD59223
Formula: C15H19ON
Smiles:
CC1=C(c2ccc(O)cc2)CCN2CCCC12| HBA: | 2 | RingCount: | 3 |
| HBD: | 1 | FractionCSP3: | 0.47 |
| AlogP: | 3.03 | Num_rotatable_bonds: | 1 |
| MolWt: | 229.32 | Num_heavy_atoms: | 17 |
| TPSA: | 23.47 | NumAromaticRings: | 1 |
