Glycoside

GD156876
Name:
16-hydroxy-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-1,6,8(19),11,13,15,17-heptaen-9-oneFormula:
C22H19O10NSmiles:
O=C1c2cc3c(c4c2c(cc2ccc(O)cc24)N1OC1OC(CO)C(O)C(O)C1O)OCO3Aglycone:
O=C1c2cc3c(c4c2c(cc2ccc(O)cc24)N1O)OCO3Sugarmoiety:
OCC1OC(O)C(O)C(O)C1OOther Identifiers
Properties
HBA: | 11 | RingCount: | 6 |
HBD: | 5 | FractionCSP3: | 0.32 |
AlogP: | 0.12 | Num_rotatable_bonds: | 3 |
MolWt: | 457.39 | Num_heavy_atoms: | 33 |
TPSA: | 158.38 | NumAromaticRings: | 3 |
Unique Aglycone
AD62073
Formula: C16H9O5N
Smiles:
O=C1c2cc3c(c4c2c(cc2ccc(O)cc24)N1O)OCO3HBA: | 6 | RingCount: | 5 |
HBD: | 2 | FractionCSP3: | 0.06 |
AlogP: | 2.78 | Num_rotatable_bonds: | 0 |
MolWt: | 295.25 | Num_heavy_atoms: | 22 |
TPSA: | 79.23 | NumAromaticRings: | 3 |