Glycoside
...
GD150225

Name:
Trilobatin G

Formula:
C43H34O22

Smiles:
O=C(O)CC1OCC(O)C(OC(=O)C2=Cc3cc(O)c(O)cc3C(c3ccc(C(=O)O)oc3=O)C2C(=O)O)C1OC(=O)C1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)O

Aglycone:
O=C(O)C1=Cc2cc(O)c(O)cc2C(c2ccc(C(=O)O)oc2=O)C1C(=O)O.O=C(O)C1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)O

Sugarmoiety:
O=C(O)CC1OCC(O)C(O)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 7
HBD: 11 FractionCSP3: 0.23
AlogP: 1.79 Num_rotatable_bonds: 11
MolWt: 902.72 Num_heavy_atoms: 65
TPSA: 382.85 NumAromaticRings: 4

Unique Aglycone
AD46640
Formula: C18H14O8

Smiles:
O=C(O)C1=Cc2cc(O)c(O)cc2C(c2ccc(O)c(O)c2)C1C(=O)O
HBA: 8 RingCount: 3
HBD: 6 FractionCSP3: 0.11
AlogP: 1.82 Num_rotatable_bonds: 3
MolWt: 358.3 Num_heavy_atoms: 26
TPSA: 155.52 NumAromaticRings: 2
AD60022
Formula: C18H12O10

Smiles:
O=C(O)C1=Cc2cc(O)c(O)cc2C(c2ccc(C(=O)O)oc2=O)C1C(=O)O
HBA: 10 RingCount: 3
HBD: 5 FractionCSP3: 0.11
AlogP: 1.06 Num_rotatable_bonds: 4
MolWt: 388.28 Num_heavy_atoms: 28
TPSA: 182.57 NumAromaticRings: 2

Sugarmoiety
SD04985

O=C(O)CC1OCC(O)C(O)C1O