Glycoside
GD126199
Name:
6-{[7-(3,4-dihydroxy-1-methoxy-2-oxopentyl)-6-({4-[(4,5-dihydroxy-6-methyloxan-2-yl)oxy]-5-hydroxy-6-methyloxan-2-yl}oxy)-4,10-dihydroxy-5-oxo-5,6,7,8-tetrahydroanthracen-2-yl]oxy}-3-[(4-hydroxy-5-methoxy-6-methyloxan-2-yl)oxy]-2-methyloxan-4-yl acetateFormula:
C47H66O22Smiles:
COC(C(=O)C(O)C(C)O)C1Cc2cc3cc(OC4CC(OC(C)=O)C(OC5CC(O)C(OC)C(C)O5)C(C)O4)cc(O)c3c(O)c2C(=O)C1OC1CC(OC2CC(O)C(O)C(C)O2)C(O)C(C)O1Aglycone:
O=C1c2c(cc3cc(O)cc(O)c3c2O)CCC1OSugarmoiety:
CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.COC(O)C(=O)C(O)C(C)O.COC1C(O)CC(OC2C(C)OC(O)CC2OC(C)=O)OC1COther Identifiers
Properties
| HBA: | 22 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.72 |
| AlogP: | 0.4 | Num_rotatable_bonds: | 15 |
| MolWt: | 983.02 | Num_heavy_atoms: | 69 |
| TPSA: | 314.58 | NumAromaticRings: | 2 |
Unique Aglycone
AD00371
Formula: C14H12O5
Smiles:
O=C1c2c(cc3cc(O)cc(O)c3c2O)CCC1O| HBA: | 5 | RingCount: | 3 |
| HBD: | 4 | FractionCSP3: | 0.21 |
| AlogP: | 1.45 | Num_rotatable_bonds: | 0 |
| MolWt: | 260.24 | Num_heavy_atoms: | 19 |
| TPSA: | 97.99 | NumAromaticRings: | 2 |
Sugarmoiety
SD06114
CC1OC(OC2CC(O)OC(C)C2O)CC(O)C1O.COC(O)C(=O)C(O)C(C)O.COC1C(O)CC(OC2C(C)OC(O)CC2OC(C)=O)OC1C