Glycoside
GD132481
Name:
16-hydroxy-14-methoxy-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-3,5-dioxa-10-azapentacyclo[9.7.1.0²,â¶.0â¸,¹â¹.0¹³,¹â¸]nonadeca-1,6,8(19),11,13,15,17-heptaen-9-oneFormula:
C23H21O10NSmiles:
COc1cc(O)cc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1C1OC(CO)C(O)C(O)C1OAglycone:
COc1cc(O)cc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
| HBA: | 11 | RingCount: | 6 |
| HBD: | 5 | FractionCSP3: | 0.35 |
| AlogP: | 0.2 | Num_rotatable_bonds: | 3 |
| MolWt: | 471.42 | Num_heavy_atoms: | 34 |
| TPSA: | 158.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD53645
Formula: C17H11O5N
Smiles:
COc1cc(O)cc2c1cc1c3c(cc4c(c32)OCO4)C(=O)N1| HBA: | 6 | RingCount: | 5 |
| HBD: | 2 | FractionCSP3: | 0.12 |
| AlogP: | 3.0 | Num_rotatable_bonds: | 1 |
| MolWt: | 309.28 | Num_heavy_atoms: | 23 |
| TPSA: | 77.02 | NumAromaticRings: | 3 |
