Glycoside
...
GD139221

Name:
None

Formula:
C55H58O13N4

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC1OOC3(C(O)(Cc4ccc(O)c5ccc(O)cc45)C(O)C(O)C(O)CO)C=CC4=C(CC3)C3C(C5CN=C(O)C5)C=CC(C4NC)C13O2

Aglycone:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC1OOC3C=CC4=C(CC3)C3C(C5CN=C(O)C5)C=CC(C4NC)C13O2.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 12
HBD: 10 FractionCSP3: 0.42
AlogP: 4.93 Num_rotatable_bonds: 11
MolWt: 983.08 Num_heavy_atoms: 72
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
AD56136
Formula: C39H40O6N4

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC1OOC3C=CC4=C(CC3)C3C(C5CN=C(O)C5)C=CC(C4NC)C13O2
HBA: 10 RingCount: 10
HBD: 3 FractionCSP3: 0.44
AlogP: 5.95 Num_rotatable_bonds: 4
MolWt: 660.77 Num_heavy_atoms: 49
TPSA: 123.24 NumAromaticRings: 4

Sugarmoiety
SD04360

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