Glycoside
...
GD004934

Name:
None

Formula:
C46H47O8N3

Smiles:
O=C(O)[C@H](Cc1ccccc1)n1cc(CO[C@@H]2O[C@H](COCc3ccccc3)[C@H](OCc3ccccc3)[C@H](OCc3ccccc3)[C@H]2OCc2ccccc2)nn1

Aglycone:
COCc1ccccc1.O=C(O)C(Cc1ccccc1)n1cc(CO)nn1.OCc1ccccc1.OCc1ccccc1.OCc1ccccc1

Sugarmoiety:
OC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 11 RingCount: 7
HBD: 1 FractionCSP3: 0.28
AlogP: 7.36 Num_rotatable_bonds: 20
MolWt: 769.9 Num_heavy_atoms: 57
TPSA: 123.39 NumAromaticRings: 6

Unique Aglycone
AD00042
Formula: C8H10O

Smiles:
COCc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.25
AlogP: 1.83 Num_rotatable_bonds: 2
MolWt: 122.17 Num_heavy_atoms: 9
TPSA: 9.23 NumAromaticRings: 1
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD04247
Formula: C12H13O3N3

Smiles:
O=C(O)C(Cc1ccccc1)n1cc(CO)nn1
HBA: 6 RingCount: 2
HBD: 2 FractionCSP3: 0.25
AlogP: 0.64 Num_rotatable_bonds: 5
MolWt: 247.25 Num_heavy_atoms: 18
TPSA: 88.24 NumAromaticRings: 2

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O