Glycoside
...
GD036718

Name:
None

Formula:
C60H60O23N6

Smiles:
COc1cc([C@H]2c3cc4c(cc3[C@@H](n3cc(CO[C@H]5O[C@@H](COCc6cn([C@H]7c8cc9c(cc8[C@@H](c8cc(OC)c(O)c(OC)c8)[C@@H]8C(=O)OC[C@H]87)OCO9)nn6)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]5OC(C)=O)nn3)[C@H]3COC(=O)[C@@H]23)OCO4)cc(OC)c1O

Aglycone:
COCc1cn(C2c3cc4c(cc3C(c3cc(OC)c(O)c(OC)c3)C3C(=O)OCC32)OCO4)nn1.COc1cc(C2c3cc4c(cc3C(n3cc(CO)nn3)C3COC(=O)C23)OCO4)cc(OC)c1O

Sugarmoiety:
CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O

Other Identifiers

Properties
HBA: 29 RingCount: 13
HBD: 2 FractionCSP3: 0.45
AlogP: 4.07 Num_rotatable_bonds: 18
MolWt: 1233.16 Num_heavy_atoms: 89
TPSA: 334.91 NumAromaticRings: 6

Unique Aglycone
AD21120
Formula: C24H23O8N3

Smiles:
COc1cc(C2c3cc4c(cc3C(n3cc(CO)nn3)C3COC(=O)C23)OCO4)cc(OC)c1O
HBA: 11 RingCount: 6
HBD: 2 FractionCSP3: 0.38
AlogP: 1.75 Num_rotatable_bonds: 5
MolWt: 481.46 Num_heavy_atoms: 35
TPSA: 134.39 NumAromaticRings: 3
AD23164
Formula: C25H25O8N3

Smiles:
COCc1cn(C2c3cc4c(cc3C(c3cc(OC)c(O)c(OC)c3)C3C(=O)OCC32)OCO4)nn1
HBA: 11 RingCount: 6
HBD: 1 FractionCSP3: 0.4
AlogP: 2.4 Num_rotatable_bonds: 6
MolWt: 495.49 Num_heavy_atoms: 36
TPSA: 123.39 NumAromaticRings: 3

Sugarmoiety
SD00012

CC(=O)OC1C(O)OC(O)C(OC(C)=O)C1OC(C)=O