Glycoside
GD154634
Name:
Hymenoside UFormula:
C20H26O11Smiles:
CC1CC(OC2OC(CO)C(O)C(O)C2OC(=O)Cc2ccc(O)c(O)c2)CC(=O)O1Aglycone:
CC1CC(O)CC(=O)O1.O=C(O)Cc1ccc(O)c(O)c1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.6 |
| AlogP: | -0.9 | Num_rotatable_bonds: | 6 |
| MolWt: | 442.42 | Num_heavy_atoms: | 31 |
| TPSA: | 172.21 | NumAromaticRings: | 1 |
Unique Aglycone
AD00758
Formula: C8H8O4
Smiles:
O=C(O)Cc1ccc(O)c(O)c1| HBA: | 4 | RingCount: | 1 |
| HBD: | 3 | FractionCSP3: | 0.12 |
| AlogP: | 0.72 | Num_rotatable_bonds: | 2 |
| MolWt: | 168.15 | Num_heavy_atoms: | 12 |
| TPSA: | 77.76 | NumAromaticRings: | 1 |
AD49404
Formula: C6H10O3
Smiles:
CC1CC(O)CC(=O)O1| HBA: | 3 | RingCount: | 1 |
| HBD: | 1 | FractionCSP3: | 0.83 |
| AlogP: | 0.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 130.14 | Num_heavy_atoms: | 9 |
| TPSA: | 46.53 | NumAromaticRings: | 0 |
