Glycoside
...
GD139029

Name:
None

Formula:
C45H47O13N3

Smiles:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC1(CC=CC(C2CN=C(O)C2)C1)C(OOCC(O)(Cc1ccc(O)c2ccc(O)cc12)C(O)C(O)C(O)CO)C3

Aglycone:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC1(CC=CC(C2CN=C(O)C2)C1)C(O)C3.Cc1ccc(O)c2ccc(O)cc12

Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)COO

Other Identifiers

Properties
HBA: 16 RingCount: 9
HBD: 9 FractionCSP3: 0.38
AlogP: 3.92 Num_rotatable_bonds: 12
MolWt: 837.88 Num_heavy_atoms: 61
TPSA: 252.82 NumAromaticRings: 6

Unique Aglycone
AD45031
Formula: C11H10O2

Smiles:
Cc1ccc(O)c2ccc(O)cc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.56 Num_rotatable_bonds: 0
MolWt: 174.2 Num_heavy_atoms: 13
TPSA: 40.46 NumAromaticRings: 2
AD45441
Formula: C28H27O5N3

Smiles:
Cc1cc(=O)c2cc3c(c(-n4cc5cc[nH]c5c4)c2o1)OC1(CC=CC(C2CN=C(O)C2)C1)C(O)C3
HBA: 8 RingCount: 7
HBD: 3 FractionCSP3: 0.36
AlogP: 4.35 Num_rotatable_bonds: 2
MolWt: 485.54 Num_heavy_atoms: 36
TPSA: 112.98 NumAromaticRings: 4

Sugarmoiety
SD04426

OCC(O)C(O)C(O)C(O)(O)COO