Glycoside
...
GD133897

Name:
28-hydroxy-17-[(4-hydroxy-5-{[5-hydroxy-4-(2-methoxy-6-methylbenzoyloxy)-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl)oxy]-3,22-dimethyl-23,26-dioxo-24,27-dioxapentacyclo[23.2.1.0¹,⁶.0¹³,²².0¹⁶,²¹]octacosa-4,7,14,25(28)-tetraene-4-carboxylic acid

Formula:
C50H64O16

Smiles:
COc1cccc(C)c1C(=O)OC1CC(OC2C(O)CC(OC3CCCC4C3C=CC3CCCCC=CC5C=C(C(=O)O)C(C)CC56OC(=O)C(=C6O)OC(=O)C34C)OC2C)OC(C)C1O

Aglycone:
CC1CC23OC(=O)C(=C2O)OC(=O)C2(C)C(C=CC4C(O)CCCC42)CCCCC=CC3C=C1C(=O)O.COc1cccc(C)c1C(=O)O

Sugarmoiety:
CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1O

Other Identifiers

Properties
HBA: 16 RingCount: 8
HBD: 4 FractionCSP3: 0.64
AlogP: 6.31 Num_rotatable_bonds: 8
MolWt: 921.05 Num_heavy_atoms: 66
TPSA: 223.04 NumAromaticRings: 1

Unique Aglycone
AD22945
Formula: C29H36O8

Smiles:
CC1CC23OC(=O)C(=C2O)OC(=O)C2(C)C(C=CC4C(O)CCCC42)CCCCC=CC3C=C1C(=O)O
HBA: 8 RingCount: 5
HBD: 3 FractionCSP3: 0.62
AlogP: 4.36 Num_rotatable_bonds: 1
MolWt: 512.6 Num_heavy_atoms: 37
TPSA: 130.36 NumAromaticRings: 0
AD44814
Formula: C9H10O3

Smiles:
COc1cccc(C)c1C(=O)O
HBA: 3 RingCount: 1
HBD: 1 FractionCSP3: 0.22
AlogP: 1.7 Num_rotatable_bonds: 2
MolWt: 166.18 Num_heavy_atoms: 12
TPSA: 46.53 NumAromaticRings: 1

Sugarmoiety
SD00663

CC1OC(OC2C(O)CC(O)OC2C)CC(O)C1O