Glycoside
...
GD153406

Name:
9-[(3,4-dihydroxy-5-methoxy-6-methyloxan-2-yl)oxy]-20-{2,4-dihydroxy-6-[2-({4-hydroxy-5-[(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy]-4,6-dimethyloxan-2-yl}oxy)-3-methoxypropyl]-3,5-dimethyloxan-2-yl}-16,19,20-trihydroxy-17-methoxy-2,4,6,8,12-pentamethylicosa-2,4,6,10,12-pentaenoic acid

Formula:
C58H98O22

Smiles:
COCC(CC1OC(O)(C(O)C(O)CC(OC)C(O)CCC=C(C)C=CC(OC2OC(C)C(OC)C(O)C2O)C(C)C=C(C)C=C(C)C=C(C)C(=O)O)C(C)C(O)C1C)OC1CC(C)(O)C(OC2CC(OC)C(O)C(C)O2)C(C)O1

Aglycone:
COCC(O)CC1OC(O)(C(O)C(O)CC(OC)C(O)CCC=C(C)C=CC(O)C(C)C=C(C)C=C(C)C=C(C)C(=O)O)C(C)C(O)C1C

Sugarmoiety:
COC1C(C)OC(O)C(O)C1O.COC1CC(OC2C(C)OC(O)CC2(C)O)OC(C)C1O

Other Identifiers

Properties
HBA: 22 RingCount: 4
HBD: 10 FractionCSP3: 0.81
AlogP: 3.11 Num_rotatable_bonds: 28
MolWt: 1147.4 Num_heavy_atoms: 80
TPSA: 320.9 NumAromaticRings: 0

Unique Aglycone
AD61013
Formula: C37H62O12

Smiles:
COCC(O)CC1OC(O)(C(O)C(O)CC(OC)C(O)CCC=C(C)C=CC(O)C(C)C=C(C)C=C(C)C=C(C)C(=O)O)C(C)C(O)C1C
HBA: 12 RingCount: 1
HBD: 8 FractionCSP3: 0.7
AlogP: 2.8 Num_rotatable_bonds: 20
MolWt: 698.89 Num_heavy_atoms: 49
TPSA: 206.6 NumAromaticRings: 0

Sugarmoiety
SD00590

COC1C(C)OC(O)C(O)C1O.COC1CC(OC2C(C)OC(O)CC2(C)O)OC(C)C1O