Glycoside
GD127552
Name:
2-({3,10-dihydroxy-5-[(4-hydroxyphenyl)methyl]-11-methoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphen-4-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triolFormula:
C31H35O10NSmiles:
COc1cc2c(cc1O)CCN1C2Cc2ccc(O)c(OC3OC(CO)C(O)C(O)C3O)c2C1Cc1ccc(O)cc1Aglycone:
COc1cc2c(cc1O)CCN1C2Cc2ccc(O)c(O)c2C1Cc1ccc(O)cc1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 7 | FractionCSP3: | 0.42 |
| AlogP: | 1.43 | Num_rotatable_bonds: | 6 |
| MolWt: | 581.62 | Num_heavy_atoms: | 42 |
| TPSA: | 172.54 | NumAromaticRings: | 3 |
Unique Aglycone
AD47550
Formula: C25H25O5N
Smiles:
COc1cc2c(cc1O)CCN1C2Cc2ccc(O)c(O)c2C1Cc1ccc(O)cc1| HBA: | 6 | RingCount: | 5 |
| HBD: | 4 | FractionCSP3: | 0.28 |
| AlogP: | 3.96 | Num_rotatable_bonds: | 3 |
| MolWt: | 419.48 | Num_heavy_atoms: | 31 |
| TPSA: | 93.39 | NumAromaticRings: | 3 |
