Glycoside
...
GD154542

Name:
None

Formula:
C49H52O13N4

Smiles:
CNC1C=CC2C(C3CN=C(O)C3)C=CC1C21Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1OOCC(O)(Cc1ccc(O)c2ccc(O)cc12)C(O)C(O)C(O)CO

Aglycone:
CNC1C=CC2C(C3CN=C(O)C3)C=CC1C21Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1O.Cc1ccc(O)c2ccc(O)cc12

Sugarmoiety:
OCC(O)C(O)C(O)C(O)(O)COO

Other Identifiers

Properties
HBA: 17 RingCount: 10
HBD: 10 FractionCSP3: 0.39
AlogP: 3.53 Num_rotatable_bonds: 13
MolWt: 904.97 Num_heavy_atoms: 66
TPSA: 264.85 NumAromaticRings: 6

Unique Aglycone
AD45031
Formula: C11H10O2

Smiles:
Cc1ccc(O)c2ccc(O)cc12
HBA: 2 RingCount: 2
HBD: 2 FractionCSP3: 0.09
AlogP: 2.56 Num_rotatable_bonds: 0
MolWt: 174.2 Num_heavy_atoms: 13
TPSA: 40.46 NumAromaticRings: 2
AD61371
Formula: C32H32O5N4

Smiles:
CNC1C=CC2C(C3CN=C(O)C3)C=CC1C21Oc2c(cc3c(=O)cc(C)oc3c2-n2cc3cc[nH]c3c2)CC1O
HBA: 9 RingCount: 8
HBD: 4 FractionCSP3: 0.38
AlogP: 3.96 Num_rotatable_bonds: 3
MolWt: 552.63 Num_heavy_atoms: 41
TPSA: 125.01 NumAromaticRings: 4

Sugarmoiety
SD04426

OCC(O)C(O)C(O)C(O)(O)COO