Glycoside
GD130830
Name:
5-({[3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)oxan-2-yl]methoxy}carbonyl)-2,3-dihydroxyphenyl 3,4-dihydroxy-5-(3,4,5-trihydroxybenzoyloxy)benzoateFormula:
C34H28O21Smiles:
O=C(OCC1OCC(OC(=O)c2cc(O)c(O)c(O)c2)C(O)C1O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1Aglycone:
COC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1.O=C(O)c1cc(O)c(O)c(O)c1Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 21 | RingCount: | 5 |
| HBD: | 12 | FractionCSP3: | 0.18 |
| AlogP: | 0.68 | Num_rotatable_bonds: | 9 |
| MolWt: | 772.58 | Num_heavy_atoms: | 55 |
| TPSA: | 357.19 | NumAromaticRings: | 4 |
Unique Aglycone
AD00518
Formula: C7H6O5
Smiles:
O=C(O)c1cc(O)c(O)c(O)c1| HBA: | 5 | RingCount: | 1 |
| HBD: | 4 | FractionCSP3: | 0.0 |
| AlogP: | 0.5 | Num_rotatable_bonds: | 1 |
| MolWt: | 170.12 | Num_heavy_atoms: | 12 |
| TPSA: | 97.99 | NumAromaticRings: | 1 |
AD53009
Formula: C22H16O13
Smiles:
COC(=O)c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(OC(=O)c3cc(O)c(O)c(O)c3)c2)c1| HBA: | 13 | RingCount: | 3 |
| HBD: | 7 | FractionCSP3: | 0.05 |
| AlogP: | 1.85 | Num_rotatable_bonds: | 5 |
| MolWt: | 488.36 | Num_heavy_atoms: | 35 |
| TPSA: | 220.51 | NumAromaticRings: | 3 |
