Glycoside
...
GD148826

Name:
None

Formula:
C43H43O16N3

Smiles:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2OC2C(Oc3ccc4c(=O)c(-c5ccc(O)cc5)coc4c3)OC(C(O)(CO)OC(=O)C(NCCC=O)C(=O)O)C(O)C2(O)CO)c1

Aglycone:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1.O=CCCNC(C(=O)O)C(=O)OC(O)CO.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

Sugarmoiety:
OCC1(O)C(O)C(O)OC(O)C1O

Other Identifiers

Properties
HBA: 19 RingCount: 7
HBD: 9 FractionCSP3: 0.3
AlogP: 1.27 Num_rotatable_bonds: 16
MolWt: 857.82 Num_heavy_atoms: 62
TPSA: 292.7 NumAromaticRings: 6

Unique Aglycone
AD04556
Formula: C15H10O4

Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.87 Num_rotatable_bonds: 1
MolWt: 254.24 Num_heavy_atoms: 19
TPSA: 70.67 NumAromaticRings: 3
AD45036
Formula: C14H14ON2

Smiles:
Cc1cc(C)cc(-c2c3[nH]ccc3cn2O)c1
HBA: 3 RingCount: 3
HBD: 2 FractionCSP3: 0.14
AlogP: 3.49 Num_rotatable_bonds: 1
MolWt: 226.28 Num_heavy_atoms: 17
TPSA: 40.95 NumAromaticRings: 3
AD48639
Formula: C8H13O7N

Smiles:
O=CCCNC(C(=O)O)C(=O)OC(O)CO
HBA: 8 RingCount: 0
HBD: 4 FractionCSP3: 0.62
AlogP: -2.53 Num_rotatable_bonds: 8
MolWt: 235.19 Num_heavy_atoms: 16
TPSA: 133.16 NumAromaticRings: 0

Sugarmoiety
SD04574

OCC1(O)C(O)C(O)OC(O)C1O