Glycoside
...
GD149572

Name:
None

Formula:
C67H74O13N4

Smiles:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOC(C(O)(Cc4ccc(O)c5ccc(O)cc45)C(O)C(O)C(O)CO)C#CCC4CCNC5C4CC46C#CCC7CCC8(CC7CCC3)C(O)=NCC8C4CC1(O2)C5C6

Aglycone:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOCC#CCC4CCNC5C4CC46C#CCC7CCC8(CC7CCC3)C(O)=NCC8C4CC1(O2)C5C6.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 17
HBD: 10 FractionCSP3: 0.55
AlogP: 7.06 Num_rotatable_bonds: 8
MolWt: 1143.34 Num_heavy_atoms: 84
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
AD59796
Formula: C51H56O6N4

Smiles:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOCC#CCC4CCNC5C4CC46C#CCC7CCC8(CC7CCC3)C(O)=NCC8C4CC1(O2)C5C6
HBA: 10 RingCount: 15
HBD: 3 FractionCSP3: 0.61
AlogP: 8.08 Num_rotatable_bonds: 1
MolWt: 821.03 Num_heavy_atoms: 61
TPSA: 123.24 NumAromaticRings: 4

Sugarmoiety
SD04360

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