Glycoside
...
GD028792

Name:
None

Formula:
C30H29O11N

Smiles:
COC1C(OC(=O)c2ccco2)C(O)C(Oc2ccc3c(O)c(NC(=O)c4ccccc4)c(=O)oc3c2C)OC1(C)C

Aglycone:
Cc1c(O)ccc2c(O)c(NC(=O)c3ccccc3)c(=O)oc12.O=C(O)c1ccco1

Sugarmoiety:
COC1C(O)C(O)C(O)OC1(C)C

Other Identifiers

Properties
HBA: 12 RingCount: 5
HBD: 3 FractionCSP3: 0.3
AlogP: 3.77 Num_rotatable_bonds: 7
MolWt: 579.56 Num_heavy_atoms: 42
TPSA: 166.9 NumAromaticRings: 4

Unique Aglycone
AD03445
Formula: C17H13O5N

Smiles:
Cc1c(O)ccc2c(O)c(NC(=O)c3ccccc3)c(=O)oc12
HBA: 6 RingCount: 3
HBD: 3 FractionCSP3: 0.06
AlogP: 2.76 Num_rotatable_bonds: 2
MolWt: 311.29 Num_heavy_atoms: 23
TPSA: 99.77 NumAromaticRings: 3
AD09286
Formula: C5H4O3

Smiles:
O=C(O)c1ccco1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 0.98 Num_rotatable_bonds: 1
MolWt: 112.08 Num_heavy_atoms: 8
TPSA: 50.44 NumAromaticRings: 1

Sugarmoiety
SD00066

COC1C(O)C(O)C(O)OC1(C)C