Glycoside
...
GD157560

Name:
None

Formula:
C52H59O13N3

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=CC(C3CN=C(O)C34CCCCC4)C1)O2

Aglycone:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C1(CC=CC(C3CN=C(O)C34CCCCC4)C1)O2.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 16 RingCount: 10
HBD: 9 FractionCSP3: 0.46
AlogP: 6.04 Num_rotatable_bonds: 13
MolWt: 934.05 Num_heavy_atoms: 68
TPSA: 252.82 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
AD62283
Formula: C35H39O5N3

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC(O)C1(CC=CC(C3CN=C(O)C34CCCCC4)C1)O2
HBA: 8 RingCount: 8
HBD: 3 FractionCSP3: 0.49
AlogP: 6.47 Num_rotatable_bonds: 3
MolWt: 581.71 Num_heavy_atoms: 43
TPSA: 112.98 NumAromaticRings: 4

Sugarmoiety
SD04426

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