Glycoside
GD135924
Name:
2-(hydroxymethyl)-6-[(18-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-5,7-dioxa-12-azapentacyclo[10.6.1.0²,¹â°.0â´,â¸.0¹âµ,¹â¹]nonadeca-2(10),3,8,15-tetraen-17-yl)oxy]oxane-3,4,5-triolFormula:
C28H37O14NSmiles:
OCC1OC(OC2C=C3CCN4Cc5cc6c(cc5C(C2OC2OC(CO)C(O)C(O)C2O)C34)OCO6)C(O)C(O)C1OAglycone:
OC1C=C2CCN3Cc4cc5c(cc4C(C1O)C23)OCO5Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 15 | RingCount: | 7 |
| HBD: | 8 | FractionCSP3: | 0.71 |
| AlogP: | -3.6 | Num_rotatable_bonds: | 6 |
| MolWt: | 611.6 | Num_heavy_atoms: | 43 |
| TPSA: | 220.46 | NumAromaticRings: | 1 |
Unique Aglycone
AD45359
Formula: C16H17O4N
Smiles:
OC1C=C2CCN3Cc4cc5c(cc4C(C1O)C23)OCO5| HBA: | 5 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.5 |
| AlogP: | 0.75 | Num_rotatable_bonds: | 0 |
| MolWt: | 287.32 | Num_heavy_atoms: | 21 |
| TPSA: | 62.16 | NumAromaticRings: | 1 |
