Glycoside
...
GD020127

Name:
None

Formula:
C41H46O22N2S

Smiles:
CN[C@@H]1[C@H](C)O[C@H](O[C@@H]2c3cc(C)c(C(=O)N[C@H](C)C(=O)O)c(O)c3-c3c(cc4c(c3O)C(=O)c3cc(OC)cc(O)c3C4=O)[C@H]2O)[C@H](O)[C@H]1O[C@@H]1O[C@H](CO)[C@H](O)[C@H](OS(=O)(=O)O)[C@H]1O

Aglycone:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(C)C(=O)O)c1O)C(O)C3O)C2=O.O=S(=O)(O)O

Sugarmoiety:
CNC1C(C)OC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 7
HBD: 12 FractionCSP3: 0.46
AlogP: -1.42 Num_rotatable_bonds: 12
MolWt: 950.88 Num_heavy_atoms: 66
TPSA: 384.16 NumAromaticRings: 3

Unique Aglycone
AD00034
Formula: H2O4S

Smiles:
O=S(=O)(O)O
HBA: 4 RingCount: 0
HBD: 2 FractionCSP3: 0.0
AlogP: -0.65 Num_rotatable_bonds: 0
MolWt: 98.08 Num_heavy_atoms: 5
TPSA: 74.6 NumAromaticRings: 0
AD13944
Formula: C28H23O11N

Smiles:
COc1cc(O)c2c(c1)C(=O)c1c(cc3c(c1O)-c1c(cc(C)c(C(=O)NC(C)C(=O)O)c1O)C(O)C3O)C2=O
HBA: 12 RingCount: 5
HBD: 7 FractionCSP3: 0.21
AlogP: 1.85 Num_rotatable_bonds: 4
MolWt: 549.49 Num_heavy_atoms: 40
TPSA: 210.92 NumAromaticRings: 3

Sugarmoiety
SD02313

CNC1C(C)OC(O)C(O)C1OC1OC(CO)C(O)C(O)C1O