Glycoside
GD140731
Name:
2-({2,10-dihydroxy-5-[(4-hydroxyphenyl)methyl]-11-methoxy-7,8,12b,13-tetrahydro-5H-6-azatetraphen-3-yl}oxy)oxane-3,4,5-triolFormula:
C30H33O9NSmiles:
COc1cc2c(cc1O)CCN1C(Cc3ccc(O)cc3)c3cc(OC4OCC(O)C(O)C4O)c(O)cc3CC21Aglycone:
COc1cc2c(cc1O)CCN1C(Cc3ccc(O)cc3)c3cc(O)c(O)cc3CC21Sugarmoiety:
OC1COC(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 6 | FractionCSP3: | 0.4 |
| AlogP: | 2.07 | Num_rotatable_bonds: | 5 |
| MolWt: | 551.59 | Num_heavy_atoms: | 40 |
| TPSA: | 152.31 | NumAromaticRings: | 3 |
Unique Aglycone
AD46124
Formula: C25H25O5N
Smiles:
COc1cc2c(cc1O)CCN1C(Cc3ccc(O)cc3)c3cc(O)c(O)cc3CC21| 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 |
