Glycoside
...
GD004981

Name:
None

Formula:
C34H39O12N

Smiles:
O=C(O)CCC(NC(=O)CC1OC(COCCCc2ccc(Oc3ccc(Oc4ccccc4)cc3)cc2)C(O)C(O)C1O)C(=O)O

Aglycone:
CC(=O)NC(CCC(=O)O)C(=O)O.COCCCc1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1

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

Other Identifiers

Properties
HBA: 13 RingCount: 4
HBD: 6 FractionCSP3: 0.38
AlogP: 2.89 Num_rotatable_bonds: 17
MolWt: 653.68 Num_heavy_atoms: 47
TPSA: 201.31 NumAromaticRings: 3

Unique Aglycone
AD01099
Formula: C7H11O5N

Smiles:
CC(=O)NC(CCC(=O)O)C(=O)O
HBA: 6 RingCount: 0
HBD: 3 FractionCSP3: 0.57
AlogP: -0.56 Num_rotatable_bonds: 5
MolWt: 189.17 Num_heavy_atoms: 13
TPSA: 103.7 NumAromaticRings: 0
AD04273
Formula: C22H22O3

Smiles:
COCCCc1ccc(Oc2ccc(Oc3ccccc3)cc2)cc1
HBA: 3 RingCount: 3
HBD: 0 FractionCSP3: 0.18
AlogP: 5.85 Num_rotatable_bonds: 8
MolWt: 334.42 Num_heavy_atoms: 25
TPSA: 27.69 NumAromaticRings: 3

Sugarmoiety
SD00017

OC1OC(O)C(O)C(O)C1O