Glycoside
...
GD136986

Name:
17-{[5-(1,2-dihydroxyethyl)-3,4-dihydroxyoxolan-2-yl]oxy}-8-(3,3-dimethyloxirane-2-carbonyl)-10-hydroxy-4,7,11,16,16-pentamethyl-9-oxahexacyclo[10.9.0.0¹,²⁰.0⁴,¹¹.0⁶,¹⁰.0¹⁵,²⁰]henicos-12-en-3-yl acetate

Formula:
C38H56O12

Smiles:
CC(=O)OC1CC23CC24CCC(OC2OC(C(O)CO)C(O)C2O)C(C)(C)C4CC=C3C2(C)C1(C)CC1C(C)C(C(=O)C3OC3(C)C)OC12O

Aglycone:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)C1(C)CC1C(C)C(C(=O)C3OC3(C)C)OC12O

Sugarmoiety:
OCC(O)C1OC(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 8
HBD: 5 FractionCSP3: 0.89
AlogP: 2.15 Num_rotatable_bonds: 7
MolWt: 704.85 Num_heavy_atoms: 50
TPSA: 184.74 NumAromaticRings: 0

Unique Aglycone
AD55362
Formula: C32H46O7

Smiles:
CC(=O)OC1CC23CC24CCC(O)C(C)(C)C4CC=C3C2(C)C1(C)CC1C(C)C(C(=O)C3OC3(C)C)OC12O
HBA: 7 RingCount: 7
HBD: 2 FractionCSP3: 0.88
AlogP: 4.33 Num_rotatable_bonds: 3
MolWt: 542.71 Num_heavy_atoms: 39
TPSA: 105.59 NumAromaticRings: 0

Sugarmoiety
SD00458

OCC(O)C1OC(O)C(O)C1O