Glycoside
...
GD027520

Name:
None

Formula:
C58H49O7N5

Smiles:
O=C1c2c(c3c4ccccc4n(C4OC(COc5ccccc5)C(Oc5ccccc5)C(OCc5ccccc5)C4OCc4ccccc4)c3c3[nH]c4ccccc4c23)C(=O)N1CCCn1ccnc1

Aglycone:
COc1ccccc1.O=C1c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C(=O)N1CCCn1ccnc1.OCc1ccccc1.OCc1ccccc1.Oc1ccccc1

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

Other Identifiers

Properties
HBA: 12 RingCount: 12
HBD: 1 FractionCSP3: 0.19
AlogP: 10.91 Num_rotatable_bonds: 16
MolWt: 928.06 Num_heavy_atoms: 70
TPSA: 122.07 NumAromaticRings: 10

Unique Aglycone
AD00044
Formula: C7H8O

Smiles:
OCc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.14
AlogP: 1.18 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 20.23 NumAromaticRings: 1
AD00247
Formula: C7H8O

Smiles:
COc1ccccc1
HBA: 1 RingCount: 1
HBD: 0 FractionCSP3: 0.14
AlogP: 1.7 Num_rotatable_bonds: 1
MolWt: 108.14 Num_heavy_atoms: 8
TPSA: 9.23 NumAromaticRings: 1
AD01349
Formula: C6H6O

Smiles:
Oc1ccccc1
HBA: 1 RingCount: 1
HBD: 1 FractionCSP3: 0.0
AlogP: 1.39 Num_rotatable_bonds: 0
MolWt: 94.11 Num_heavy_atoms: 7
TPSA: 20.23 NumAromaticRings: 1
AD11300
Formula: C26H19O2N5

Smiles:
O=C1c2c(c3c4ccccc4[nH]c3c3[nH]c4ccccc4c23)C(=O)N1CCCn1ccnc1
HBA: 7 RingCount: 7
HBD: 2 FractionCSP3: 0.12
AlogP: 4.84 Num_rotatable_bonds: 4
MolWt: 433.47 Num_heavy_atoms: 33
TPSA: 86.78 NumAromaticRings: 6

Sugarmoiety
SD00017

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