Glycoside
GD145374
Name:
2,6-bis({4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-hydroxy-6-methyloxan-2-yl}oxy)-8,9-dihydroxy-3-(2-hydroxy-1-methoxy-3-oxobutyl)-7-methyl-1,2,3,4-tetrahydroanthracen-1-oneFormula:
C44H62O20Smiles:
COC(C(O)C(C)=O)C1Cc2cc3cc(OC4CC(OC5CC(O)C(O)C(C)O5)C(O)C(C)O4)c(C)c(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(O)C(O)C(C)O2)C(O)C(C)O1Aglycone:
COC(C(O)C(C)=O)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1OSugarmoiety:
CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1OOther Identifiers
Properties
| HBA: | 20 | RingCount: | 7 |
| HBD: | 9 | FractionCSP3: | 0.73 |
| AlogP: | 0.12 | Num_rotatable_bonds: | 12 |
| MolWt: | 910.96 | Num_heavy_atoms: | 64 |
| TPSA: | 299.28 | NumAromaticRings: | 2 |
Unique Aglycone
AD02291
Formula: C20H22O8
Smiles:
COC(C(O)C(C)=O)C1Cc2cc3cc(O)c(C)c(O)c3c(O)c2C(=O)C1O| HBA: | 8 | RingCount: | 3 |
| HBD: | 5 | FractionCSP3: | 0.4 |
| AlogP: | 0.95 | Num_rotatable_bonds: | 4 |
| MolWt: | 390.39 | Num_heavy_atoms: | 28 |
| TPSA: | 144.52 | NumAromaticRings: | 2 |
