Glycoside
...
GD124576

Name:
Nudicaulin I

Formula:
C41H45O20N

Smiles:
OCC1OC(Oc2cc(O)c3c(c2)OC2(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C(c4ccc(O)cc4)=C4C(=Nc5ccccc54)C32)C(O)C(O)C1O

Aglycone:
Oc1ccc(C2=C3C(=Nc4ccccc43)C3c4c(O)cc(O)cc4OC23O)cc1

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 21 RingCount: 9
HBD: 13 FractionCSP3: 0.49
AlogP: -3.2 Num_rotatable_bonds: 10
MolWt: 871.8 Num_heavy_atoms: 62
TPSA: 339.96 NumAromaticRings: 3

Unique Aglycone
AD50338
Formula: C23H15O5N

Smiles:
Oc1ccc(C2=C3C(=Nc4ccccc43)C3c4c(O)cc(O)cc4OC23O)cc1
HBA: 6 RingCount: 6
HBD: 4 FractionCSP3: 0.09
AlogP: 3.68 Num_rotatable_bonds: 1
MolWt: 385.38 Num_heavy_atoms: 29
TPSA: 102.51 NumAromaticRings: 3

Sugarmoiety
SD00069

OCC1OC(O)C(O)C(O)C1O.OCC1OC(OC2C(O)OC(CO)C(O)C2O)C(O)C(O)C1O