Glycoside
...
GD135409

Name:
None

Formula:
C33H34O15N2

Smiles:
O=C(C=Cc1ccc(O)cc1)OCC1OC(Oc2cc3c(cc2O)CC(C(=O)O)N3CC=C2C=C(C(=O)O)NC(C(=O)O)C2)C(O)C(O)C1O

Aglycone:
COC(=O)C=Cc1ccc(O)cc1.O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1

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

Other Identifiers

Properties
HBA: 17 RingCount: 5
HBD: 9 FractionCSP3: 0.33
AlogP: -0.3 Num_rotatable_bonds: 11
MolWt: 698.63 Num_heavy_atoms: 50
TPSA: 273.08 NumAromaticRings: 2

Unique Aglycone
AD00020
Formula: C10H10O3

Smiles:
COC(=O)C=Cc1ccc(O)cc1
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.1
AlogP: 1.58 Num_rotatable_bonds: 2
MolWt: 178.19 Num_heavy_atoms: 13
TPSA: 46.53 NumAromaticRings: 1
AD46344
Formula: C18H18O8N2

Smiles:
O=C(O)C1=CC(=CCN2c3cc(O)c(O)cc3CC2C(=O)O)CC(C(=O)O)N1
HBA: 10 RingCount: 3
HBD: 6 FractionCSP3: 0.28
AlogP: 0.25 Num_rotatable_bonds: 5
MolWt: 390.35 Num_heavy_atoms: 28
TPSA: 167.63 NumAromaticRings: 1

Sugarmoiety
SD00017

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