Glycoside
...
GD031066

Name:
None

Formula:
C28H35O20N4PS3

Smiles:
Nc1c(S(=O)(=O)O)cc2c3c(cc(S(=O)(=O)O)cc13)C(=O)N(CCNC(=O)CSC[C@@H]1O[C@H](O[C@@H]3[C@@H]4OP(=O)(O)O[C@H]4[C@H](O)[C@H](O)[C@H]3O)[C@H](N)[C@H](O)[C@H]1O)C2=O

Aglycone:
CSCC(=O)NCCN1C(=O)c2cc(S(=O)(=O)O)cc3c(N)c(S(=O)(=O)O)cc(c23)C1=O.O=P1(O)OC2C(O)C(O)C(O)C(O)C2O1

Sugarmoiety:
NC1C(O)OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 24 RingCount: 6
HBD: 13 FractionCSP3: 0.54
AlogP: -4.5 Num_rotatable_bonds: 11
MolWt: 874.77 Num_heavy_atoms: 56
TPSA: 402.63 NumAromaticRings: 2

Unique Aglycone
AD06706
Formula: C6H11O8P

Smiles:
O=P1(O)OC2C(O)C(O)C(O)C(O)C2O1
HBA: 8 RingCount: 2
HBD: 5 FractionCSP3: 1.0
AlogP: -2.67 Num_rotatable_bonds: 0
MolWt: 242.12 Num_heavy_atoms: 15
TPSA: 136.68 NumAromaticRings: 0
AD20046
Formula: C17H17O9N3S3

Smiles:
CSCC(=O)NCCN1C(=O)c2cc(S(=O)(=O)O)cc3c(N)c(S(=O)(=O)O)cc(c23)C1=O
HBA: 12 RingCount: 3
HBD: 5 FractionCSP3: 0.24
AlogP: -0.01 Num_rotatable_bonds: 7
MolWt: 503.54 Num_heavy_atoms: 32
TPSA: 201.24 NumAromaticRings: 2

Sugarmoiety
SD00266

NC1C(O)OC(O)C(O)C1O