Glycoside
...
GD120578

Name:
None

Formula:
C36H39O12N3

Smiles:
CNC(C(=O)O)C(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(On2cc3cc[nH]c3c2CCC(C)C)C(O)C1O

Aglycone:
CC(C)CCc1c2[nH]ccc2cn1O.CNC(C(=O)O)C(=O)OC.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

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

Other Identifiers

Properties
HBA: 15 RingCount: 6
HBD: 6 FractionCSP3: 0.36
AlogP: 2.58 Num_rotatable_bonds: 13
MolWt: 705.72 Num_heavy_atoms: 51
TPSA: 214.94 NumAromaticRings: 5

Unique Aglycone
AD04556
Formula: C15H10O4

Smiles:
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12
HBA: 4 RingCount: 3
HBD: 2 FractionCSP3: 0.0
AlogP: 2.87 Num_rotatable_bonds: 1
MolWt: 254.24 Num_heavy_atoms: 19
TPSA: 70.67 NumAromaticRings: 3
AD45540
Formula: C5H9O4N

Smiles:
CNC(C(=O)O)C(=O)OC
HBA: 5 RingCount: 0
HBD: 2 FractionCSP3: 0.6
AlogP: -1.17 Num_rotatable_bonds: 3
MolWt: 147.13 Num_heavy_atoms: 10
TPSA: 75.63 NumAromaticRings: 0
AD48460
Formula: C11H16ON2

Smiles:
CC(C)CCc1c2[nH]ccc2cn1O
HBA: 3 RingCount: 2
HBD: 2 FractionCSP3: 0.45
AlogP: 2.8 Num_rotatable_bonds: 3
MolWt: 192.26 Num_heavy_atoms: 14
TPSA: 40.95 NumAromaticRings: 2

Sugarmoiety
SD00017

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