Glycoside
...
GD142846

Name:
None

Formula:
C73H84O13N4

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=CC4=CC5C(C=CC(C4NC4CC(CC)C6(CCCC6)C4)C15O2)C1CN=C(O)C12CCCC1(C=CC3CC1)C2

Aglycone:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOCC=CC4=CC5C(C=CC(C4NC4CC(CC)C6(CCCC6)C4)C15O2)C1CN=C(O)C12CCCC1(C=CC3CC1)C2.Cc1ccc(O)c2ccc(O)cc12

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

Other Identifiers

Properties
HBA: 17 RingCount: 20
HBD: 10 FractionCSP3: 0.53
AlogP: 10.12 Num_rotatable_bonds: 11
MolWt: 1225.49 Num_heavy_atoms: 90
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
AD57475
Formula: C57H66O6N4

Smiles:
CCc1c2cc3[nH]c2cn1-c1c2c(cc4c(=O)cc(C)oc14)CC1OOCC=CC4=CC5C(C=CC(C4NC4CC(CC)C6(CCCC6)C4)C15O2)C1CN=C(O)C12CCCC1(C=CC3CC1)C2
HBA: 10 RingCount: 17
HBD: 3 FractionCSP3: 0.58
AlogP: 11.14 Num_rotatable_bonds: 4
MolWt: 903.18 Num_heavy_atoms: 67
TPSA: 123.24 NumAromaticRings: 4

Sugarmoiety
SD04360

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