Glycoside
...
GD121345

Name:
None

Formula:
C45H49O15N3

Smiles:
CNC(CCO)C(C(=O)O)C(=O)OC(O)C1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(On2cc3cc[nH]c3c2-c2cc(C)cc(CCCCO)c2)C(O)C1O

Aglycone:
CNC(CCO)C(C(=O)O)C(=O)OCO.Cc1cc(CCCCO)cc(-c2c3[nH]ccc3cn2O)c1.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12

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

Other Identifiers

Properties
HBA: 18 RingCount: 7
HBD: 9 FractionCSP3: 0.36
AlogP: 2.59 Num_rotatable_bonds: 18
MolWt: 871.89 Num_heavy_atoms: 63
TPSA: 275.63 NumAromaticRings: 6

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
AD45353
Formula: C8H15O6N

Smiles:
CNC(CCO)C(C(=O)O)C(=O)OCO
HBA: 7 RingCount: 0
HBD: 4 FractionCSP3: 0.75
AlogP: -1.85 Num_rotatable_bonds: 7
MolWt: 221.21 Num_heavy_atoms: 15
TPSA: 116.09 NumAromaticRings: 0
AD45525
Formula: C17H20O2N2

Smiles:
Cc1cc(CCCCO)cc(-c2c3[nH]ccc3cn2O)c1
HBA: 4 RingCount: 3
HBD: 3 FractionCSP3: 0.29
AlogP: 3.5 Num_rotatable_bonds: 5
MolWt: 284.36 Num_heavy_atoms: 21
TPSA: 61.18 NumAromaticRings: 3

Sugarmoiety
SD00017

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