Glycoside
GD145367
Name:
10-{[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-3,5-dioxa-10-azapentacyclo[9.7.1.0²,â¶.0â¸,¹â¹.0¹³,¹â¸]nonadeca-1(18),2(6),7,11(19),12,14,16-heptaen-9-oneFormula:
C22H19O9NSmiles:
O=C1c2cc3c(c4c2c(cc2ccccc24)N1OC1OC(CO)C(O)C(O)C1O)OCO3Aglycone:
O=C1c2cc3c(c4c2c(cc2ccccc24)N1O)OCO3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 10 | RingCount: | 6 |
| HBD: | 4 | FractionCSP3: | 0.32 |
| AlogP: | 0.41 | Num_rotatable_bonds: | 3 |
| MolWt: | 441.39 | Num_heavy_atoms: | 32 |
| TPSA: | 138.15 | NumAromaticRings: | 3 |
Unique Aglycone
AD58359
Formula: C16H9O4N
Smiles:
O=C1c2cc3c(c4c2c(cc2ccccc24)N1O)OCO3| HBA: | 5 | RingCount: | 5 |
| HBD: | 1 | FractionCSP3: | 0.06 |
| AlogP: | 3.07 | Num_rotatable_bonds: | 0 |
| MolWt: | 279.25 | Num_heavy_atoms: | 21 |
| TPSA: | 59.0 | NumAromaticRings: | 3 |
