Glycoside
...
GD122444

Name:
None

Formula:
C56H62O13N4

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC1OOC(C(O)(Cc3ccc(O)c4ccc(O)cc34)C(O)C(O)C(O)CO)C#CCC3CCNC4C3CC3CC4C1(CC3C1CN=C(O)C1)O2

Aglycone:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC1OOCC#CCC3CCNC4C3CC3CC4C1(CC3C1CN=C(O)C1)O2.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: 0.5
AlogP: 4.93 Num_rotatable_bonds: 10
MolWt: 999.13 Num_heavy_atoms: 73
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
AD49336
Formula: C40H44O6N4

Smiles:
CCc1c2cc[nH]c2cn1-c1c2c(cc3c(=O)cc(C)oc13)CC1OOCC#CCC3CCNC4C3CC3CC4C1(CC3C1CN=C(O)C1)O2
HBA: 10 RingCount: 10
HBD: 3 FractionCSP3: 0.55
AlogP: 5.95 Num_rotatable_bonds: 3
MolWt: 676.81 Num_heavy_atoms: 50
TPSA: 123.24 NumAromaticRings: 4

Sugarmoiety
SD04360

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