Glycoside
...
GD137075

Name:
dihydronudicaulin i

Formula:
C41H47O20N

Smiles:
OCC1OC(Oc2cc(O)c3c(c2)OC2(OC4OC(CO)C(O)C(O)C4OC4OC(CO)C(O)C(O)C4O)C3c3[nH]c4ccccc4c3C2c2ccc(O)cc2)C(O)C(O)C1O

Aglycone:
Oc1ccc(C2c3c([nH]c4ccccc34)C3c4c(O)cc(O)cc4OC32O)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: 14 FractionCSP3: 0.51
AlogP: -3.24 Num_rotatable_bonds: 10
MolWt: 873.81 Num_heavy_atoms: 62
TPSA: 343.39 NumAromaticRings: 4

Unique Aglycone
AD55396
Formula: C23H17O5N

Smiles:
Oc1ccc(C2c3c([nH]c4ccccc34)C3c4c(O)cc(O)cc4OC32O)cc1
HBA: 6 RingCount: 6
HBD: 5 FractionCSP3: 0.13
AlogP: 3.64 Num_rotatable_bonds: 1
MolWt: 387.39 Num_heavy_atoms: 29
TPSA: 105.94 NumAromaticRings: 4

Sugarmoiety
SD00069

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