Glycoside
GD138567
Name:
3,5-dihydroxy-2-{[4-hydroxy-3-(1-hydroxy-2-{[(4-hydroxynaphthalen-1-yl)methylidene]amino}ethoxy)-1-{[(4-hydroxynaphthalen-1-yl)methylidene]amino}butan-2-yl]oxy}-6-(hydroxymethyl)oxan-4-yl acetateFormula:
C36H40O12N2Smiles:
CC(=O)OC1C(O)C(CO)OC(OC(CN=Cc2ccc(O)c3ccccc23)C(CO)OC(O)CN=Cc2ccc(O)c3ccccc23)C1OAglycone:
OCC(OC(O)CN=Cc1ccc(O)c2ccccc12)C(O)CN=Cc1ccc(O)c2ccccc12Sugarmoiety:
CC(=O)OC1C(O)C(O)OC(CO)C1OOther Identifiers
Properties
| HBA: | 14 | RingCount: | 5 |
| HBD: | 7 | FractionCSP3: | 0.36 |
| AlogP: | 1.39 | Num_rotatable_bonds: | 14 |
| MolWt: | 692.72 | Num_heavy_atoms: | 50 |
| TPSA: | 220.32 | NumAromaticRings: | 4 |
Unique Aglycone
AD55917
Formula: C28H28O6N2
Smiles:
OCC(OC(O)CN=Cc1ccc(O)c2ccccc12)C(O)CN=Cc1ccc(O)c2ccccc12| HBA: | 8 | RingCount: | 4 |
| HBD: | 5 | FractionCSP3: | 0.21 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 10 |
| MolWt: | 488.54 | Num_heavy_atoms: | 36 |
| TPSA: | 135.1 | NumAromaticRings: | 4 |
