Glycoside
...
GD011801

Name:
None

Formula:
C46H41O15N3S

Smiles:
O=C(NCCCOc1nonc1S(=O)(=O)c1ccccc1)[C@@H]1O[C@H](Oc2cc3oc(-c4ccc(OCc5ccccc5)cc4)cc(=O)c3c(O)c2OCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O

Aglycone:
O=CNCCCOc1nonc1S(=O)(=O)c1ccccc1.O=c1cc(-c2ccc(OCc3ccccc3)cc2)oc2cc(O)c(OCc3ccccc3)c(O)c12

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

Other Identifiers

Properties
HBA: 18 RingCount: 8
HBD: 5 FractionCSP3: 0.22
AlogP: 4.31 Num_rotatable_bonds: 17
MolWt: 907.91 Num_heavy_atoms: 65
TPSA: 259.44 NumAromaticRings: 7

Unique Aglycone
AD04640
Formula: C29H22O6

Smiles:
O=c1cc(-c2ccc(OCc3ccccc3)cc2)oc2cc(O)c(OCc3ccccc3)c(O)c12
HBA: 6 RingCount: 5
HBD: 2 FractionCSP3: 0.07
AlogP: 6.03 Num_rotatable_bonds: 7
MolWt: 466.49 Num_heavy_atoms: 35
TPSA: 89.13 NumAromaticRings: 5
AD08971
Formula: C12H13O5N3S

Smiles:
O=CNCCCOc1nonc1S(=O)(=O)c1ccccc1
HBA: 8 RingCount: 2
HBD: 1 FractionCSP3: 0.25
AlogP: 0.42 Num_rotatable_bonds: 8
MolWt: 311.32 Num_heavy_atoms: 21
TPSA: 111.39 NumAromaticRings: 2

Sugarmoiety
SD00017

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