Glycoside
GD125961
Name:
5-hydroxy-2-(hydroxymethyl)-8,8-dimethyl-7-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H,6H,7H,8H-pyrano[3,2-g]chromen-4-oneFormula:
C21H26O11Smiles:
CC1(C)Oc2cc3oc(CO)cc(=O)c3c(O)c2CC1OC1OC(CO)C(O)C(O)C1OAglycone:
CC1(C)Oc2cc3oc(CO)cc(=O)c3c(O)c2CC1OSugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 4 |
| HBD: | 6 | FractionCSP3: | 0.57 |
| AlogP: | -1.11 | Num_rotatable_bonds: | 4 |
| MolWt: | 454.43 | Num_heavy_atoms: | 32 |
| TPSA: | 179.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD50949
Formula: C15H16O6
Smiles:
CC1(C)Oc2cc3oc(CO)cc(=O)c3c(O)c2CC1O| HBA: | 6 | RingCount: | 3 |
| HBD: | 3 | FractionCSP3: | 0.4 |
| AlogP: | 1.07 | Num_rotatable_bonds: | 1 |
| MolWt: | 292.29 | Num_heavy_atoms: | 21 |
| TPSA: | 100.13 | NumAromaticRings: | 2 |
