Glycoside
...
GD030267

Name:
None

Formula:
C66H68O23N4S2

Smiles:
O=C1C=CC2C(=C1)Oc1cc(O)ccc1C2c1ccc(NC(=S)NCCCCCC(=O)OC[C@@H]2O[C@H](O[C@@H]3O[C@H](COC(=O)CCCCCNC(=S)Nc4ccc(-c5c6ccc(=O)cc-6oc6cc(O)ccc56)c(C(=O)O)c4)[C@H](O)[C@H](O)[C@H]3O)[C@H](O)[C@H](O)[C@H]2O)cc1C(=O)O

Aglycone:
COC(=O)CCCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1.COC(=O)CCCCCNC(=S)Nc1ccc(C2c3ccc(O)cc3OC3=CC(=O)C=CC32)c(C(=O)O)c1

Sugarmoiety:
OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 27 RingCount: 10
HBD: 14 FractionCSP3: 0.36
AlogP: 4.65 Num_rotatable_bonds: 24
MolWt: 1349.41 Num_heavy_atoms: 95
TPSA: 421.36 NumAromaticRings: 4

Unique Aglycone
AD06142
Formula: C28H26O7N2S

Smiles:
COC(=O)CCCCCNC(=S)Nc1ccc(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c(C(=O)O)c1
HBA: 9 RingCount: 4
HBD: 4 FractionCSP3: 0.21
AlogP: 4.99 Num_rotatable_bonds: 9
MolWt: 534.59 Num_heavy_atoms: 38
TPSA: 138.1 NumAromaticRings: 2
AD19590
Formula: C28H28O7N2S

Smiles:
COC(=O)CCCCCNC(=S)Nc1ccc(C2c3ccc(O)cc3OC3=CC(=O)C=CC32)c(C(=O)O)c1
HBA: 9 RingCount: 4
HBD: 4 FractionCSP3: 0.29
AlogP: 4.27 Num_rotatable_bonds: 9
MolWt: 536.61 Num_heavy_atoms: 38
TPSA: 134.19 NumAromaticRings: 2

Sugarmoiety
SD00200

OC1OC(OC2OC(O)C(O)C(O)C2O)C(O)C(O)C1O