Glycoside
...
GD119529

Name:
None

Formula:
C51H58O13N4

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(OOCC(O)(Cc1ccc(O)c3ccc(O)cc13)C(O)C(O)C(O)CO)C1(CC(C3CN=C(O)C3)C3C=CC(NC)C1C3)O2

Aglycone:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C1(CC(C3CN=C(O)C3)C3C=CC(NC)C1C3)O2.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: 0.45
AlogP: 4.32 Num_rotatable_bonds: 14
MolWt: 935.04 Num_heavy_atoms: 68
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
AD47907
Formula: C34H38O5N4

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C1(CC(C3CN=C(O)C3)C3C=CC(NC)C1C3)O2
HBA: 9 RingCount: 8
HBD: 4 FractionCSP3: 0.47
AlogP: 4.75 Num_rotatable_bonds: 4
MolWt: 582.7 Num_heavy_atoms: 43
TPSA: 125.01 NumAromaticRings: 4

Sugarmoiety
SD04426

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