Glycoside
...
GD135590

Name:
None

Formula:
C33H31O13N3

Smiles:
O=CCCNC(C(=O)O)C(=O)OCC1OC(Oc2ccc3c(=O)c(-c4ccc(O)cc4)coc3c2)C(ON2C=C3C=CN=C3C2)C(O)C1O

Aglycone:
COC(=O)C(NCCC=O)C(=O)O.O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12.ON1C=C2C=CN=C2C1

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

Other Identifiers

Properties
HBA: 16 RingCount: 6
HBD: 5 FractionCSP3: 0.3
AlogP: 0.63 Num_rotatable_bonds: 13
MolWt: 677.62 Num_heavy_atoms: 49
TPSA: 226.89 NumAromaticRings: 3

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
AD45541
Formula: C6H6ON2

Smiles:
ON1C=C2C=CN=C2C1
HBA: 3 RingCount: 2
HBD: 1 FractionCSP3: 0.17
AlogP: 0.54 Num_rotatable_bonds: 0
MolWt: 122.13 Num_heavy_atoms: 9
TPSA: 35.83 NumAromaticRings: 0
AD47408
Formula: C7H11O5N

Smiles:
COC(=O)C(NCCC=O)C(=O)O
HBA: 6 RingCount: 0
HBD: 2 FractionCSP3: 0.57
AlogP: -1.21 Num_rotatable_bonds: 6
MolWt: 189.17 Num_heavy_atoms: 13
TPSA: 92.7 NumAromaticRings: 0

Sugarmoiety
SD00017

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